Sulfo-Cy5 carboxylic acid

Catalog Number

ACM1121756168-1

CAS

1121756-16-8

Synonyms

SulfoCy5Carboxylicacids(methyl)

IUPAC Name

Sodium;1-(5-carboxypentyl)-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate

Molecular Weight

664.8

Molecular Formula

C32H37N2NaO8S2

Canonical SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[Na+]

InChI

InChI=1S/C32H38N2O8S2.Na/c1-31(2)24-20-22(43(37,38)39)15-17-26(24)33(5)28(31)12-8-6-9-13-29-32(3,4)25-21-23(44(40,41)42)16-18-27(25)34(29)19-11-7-10-14-30(35)36;/h6,8-9,12-13,15-18,20-21H,7,10-11,14,19H2,1-5H3,(H2-,35,36,37,38,39,40,41,42);/q;+1/p-1

InChI Key

WBMXXQYLCXUAFF-UHFFFAOYSA-M

Purity

95%+

Appearance

Dark blue powder

Storage

-20 °C

• Catalog Number: ACM1121756168-1
• CAS: 1121756-16-8
• Synonyms: SulfoCy5Carboxylicacids(methyl)
• IUPAC Name: Sodium;1-(5-carboxypentyl)-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
• Molecular Weight: 664.8
• Molecular Formula: C32H37N2NaO8S2
• Canonical SMILES: CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[Na+]
• InChI: InChI=1S/C32H38N2O8S2.Na/c1-31(2)24-20-22(43(37,38)39)15-17-26(24)33(5)28(31)12-8-6-9-13-29-32(3,4)25-21-23(44(40,41)42)16-18-27(25)34(29)19-11-7-10-14-30(35)36;/h6,8-9,12-13,15-18,20-21H,7,10-11,14,19H2,1-5H3,(H2-,35,36,37,38,39,40,41,42);/q;+1/p-1
• InChI Key: WBMXXQYLCXUAFF-UHFFFAOYSA-M
• Purity: 95%+
• Appearance: Dark blue powder
• Storage: -20 °C