2-[(1E,3E,5Z)-5-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium-5-sulfonate | CAS No. 1617572-09-4

2-[(1E,3E,5Z)-5-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium-5-sulfonate

Basic Information

CAS Number

1617572-09-4

Molecular Formula

C35H41N3O7S2

Molecular Weight

679.85 g/mol

AD

Basic Physical Properties

CC1(C)C(/C=C/C=C/C=C2N(CCCCCC(=O)NCC#C)C3C=CC(=CC=3C2(C)C)S(O)(=O)=O)=[N+](C)C2C=CC(=CC1=2)S([O-])(=O)=O

InChI

InChI=1S/C35H41N3O7S2/c1-7-21-36-33(39)16-12-9-13-22-38-30-20-18-26(47(43,44)45)24-28(30)35(4,5)32(38)15-11-8-10-14-31-34(2,3)27-23-25(46(40,41)42)17-19-29(27)37(31)6/h1,8,10-11,14-15,17-20,23-24H,9,12-13,16,21-22H2,2-6H3,(H2-,36,39,40,41,42,43,44,45)

InChIKey

OMSGSPNJNVQTSN-UHFFFAOYSA-N

Complexity

1560

Synonyms & References

English

  • 2-(5-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

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