Sulfo Cy3.5 Carboxylicacids(ethyl)

Catalog Number

ACM1284240772-1

CAS

1284240-77-2

Synonyms

1H-Benz[e]indolium,2-[3-[3-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-6,8-disulfo-2H-benz[e]indol-2-ylidene]-1-propen-1-yl]-3-ethyl-1,1-dimethyl-6,8-disulfo-,innersalt

IUPAC Name

(2Z)-2-[(E)-3-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indole-8-sulfonate

Molecular Weight

892.01

Molecular Formula

C39H43N2O14S4+

Canonical SMILES

CCN1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)O)C(C1=CC=CC4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)O)(C)C

InChI

InChI=1S/C39H42N2O14S4/c1-6-40-29-16-14-25-27(19-23(56(44,45)46)21-31(25)58(50,51)52)36(29)38(2,3)33(40)11-10-12-34-39(4,5)37-28-20-24(57(47,48)49)22-32(59(53,54)55)26(28)15-17-30(37)41(34)18-9-7-8-13-35(42)43/h10-12,14-17,19-22H,6-9,13,18H2,1-5H3,(H4-,42,43,44,45,46,47,48,49,50,51,52,53,54,55)

InChI Key

SMRJSACRIKPVSW-UHFFFAOYSA-N

Purity

95%

Appearance

Purple powder

Storage

-20 °C and dry

• Catalog Number: ACM1284240772-1
• CAS: 1284240-77-2
• Synonyms: 1H-Benz[e]indolium,2-[3-[3-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-6,8-disulfo-2H-benz[e]indol-2-ylidene]-1-propen-1-yl]-3-ethyl-1,1-dimethyl-6,8-disulfo-,innersalt
• IUPAC Name: (2Z)-2-[(E)-3-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indole-8-sulfonate
• Molecular Weight: 892.01
• Molecular Formula: C39H43N2O14S4+
• Canonical SMILES: CCN1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)O)C(C1=CC=CC4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)O)(C)C
• InChI: InChI=1S/C39H42N2O14S4/c1-6-40-29-16-14-25-27(19-23(56(44,45)46)21-31(25)58(50,51)52)36(29)38(2,3)33(40)11-10-12-34-39(4,5)37-28-20-24(57(47,48)49)22-32(59(53,54)55)26(28)15-17-30(37)41(34)18-9-7-8-13-35(42)43/h10-12,14-17,19-22H,6-9,13,18H2,1-5H3,(H4-,42,43,44,45,46,47,48,49,50,51,52,53,54,55)
• InChI Key: SMRJSACRIKPVSW-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Purple powder
• Storage: -20 °C and dry