NIR4d

Catalog Number

ACM162411225-1

CAS

162411-22-5

Synonyms

NIR4d,Near Infrared Dye4d

IUPAC Name

4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]butane-1-sulfonate

Molecular Weight

787.4

Molecular Formula

C40H51ClN2O8S2

Canonical SMILES

CC1(C2=C(C=CC(=C2)OC)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)OC)(C)C)/CCC3)Cl)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C40H51ClN2O8S2/c1-39(2)32-26-30(50-5)16-18-34(32)42(22-7-9-24-52(44,45)46)36(39)20-14-28-12-11-13-29(38(28)41)15-21-37-40(3,4)33-27-31(51-6)17-19-35(33)43(37)23-8-10-25-53(47,48)49/h14-21,26-27H,7-13,22-25H2,1-6H3,(H-,44,45,46,47,48,49)

InChI Key

MNVASHPKEQOKQS-UHFFFAOYSA-N

Purity

98%+

Appearance

Dark green powder

Storage

Stored at -20 °C

• Catalog Number: ACM162411225-1
• CAS: 162411-22-5
• Synonyms: NIR4d,Near Infrared Dye4d
• IUPAC Name: 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]butane-1-sulfonate
• Molecular Weight: 787.4
• Molecular Formula: C40H51ClN2O8S2
• Canonical SMILES: CC1(C2=C(C=CC(=C2)OC)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)OC)(C)C)/CCC3)Cl)CCCCS(=O)(=O)O)C
• InChI: InChI=1S/C40H51ClN2O8S2/c1-39(2)32-26-30(50-5)16-18-34(32)42(22-7-9-24-52(44,45)46)36(39)20-14-28-12-11-13-29(38(28)41)15-21-37-40(3,4)33-27-31(51-6)17-19-35(33)43(37)23-8-10-25-53(47,48)49/h14-21,26-27H,7-13,22-25H2,1-6H3,(H-,44,45,46,47,48,49)
• InChI Key: MNVASHPKEQOKQS-UHFFFAOYSA-N
• Purity: 98%+
• Appearance: Dark green powder
• Storage: Stored at -20 °C