2-[5-[1,1-DIMETHYL-3-(4-SULFOBUTYL)-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE]PENTA-1,3-DIENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO[E]INDOLIUM INNER SALT SODIUM SALT

CAS No.
64285-36-5
CCD No.
CCD03028021
Formula
C41 H45 N2 O6 S2 . Na
MolWeight
748.937

Basic Information

Product Name: 2-[5-[1,1-DIMETHYL-3-(4-SULFOBUTYL)-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE]PENTA-1,3-DIENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO[E]INDOLIUM INNER SALT SODIUM SALT
CAS: 64285-36-5
English Synonyms: 2-[5-[1,1-DIMETHYL-3-(4-SULFOBUTYL)-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE]PENTA-1,3-DIENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO[E]INDOLIUM INNER SALT SODIUM SALT
MDL Number.: MFCD16621036
H bond acceptor: 8
H bond donor: 0
Smile: CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C=C/C=C/4\C(c5c6ccccc6ccc5N4CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+]
InChi: InChI=1S/C41H46N2O6S2.Na/c1-40(2)36(42(26-12-14-28-50(44,45)46)34-24-22-30-16-8-10-18-32(30)38(34)40)20-6-5-7-21-37-41(3,4)39-33-19-11-9-17-31(33)23-25-35(39)43(37)27-13-15-29-51(47,48)49;/h5-11,16-25H,12-15,26-29H2,1-4H3,(H-,44,45,46,47,48,49);/q;+1/p-1
InChiKey: InChIKey=LAYIHRUYRMYLTJ-UHFFFAOYSA-M

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