2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT

CAS No.
757960-10-4
CCD No.
CCD01128235
Formula
C45 H48 Cl N2 O6 S2 . Na
MolWeight
835.457

Basic Information

Product Name: 2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT
CAS: 757960-10-4
English Synonyms: 2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT
MDL Number.: MFCD11225152
H bond acceptor: 8
H bond donor: 0
Smile: CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C4=C(/C(=C/C=C/5\C(c6c7ccccc7ccc6N5CCCCS(=O)(=O)[O-])(C)C)/CC4)Cl)CCCCS(=O)(=O)[O-])C.[Na+]
InChi: InChI=1S/C45H49ClN2O6S2.Na/c1-44(2)39(47(27-9-11-29-55(49,50)51)37-23-19-31-13-5-7-15-35(31)41(37)44)25-21-33-17-18-34(43(33)46)22-26-40-45(3,4)42-36-16-8-6-14-32(36)20-24-38(42)48(40)28-10-12-30-56(52,53)54;/h5-8,13-16,19-26H,9-12,17-18,27-30H2,1-4H3,(H-,49,50,51,52,53,54);/q;+1/p-1
InChiKey: InChIKey=GWNUVHLCVJYSKU-UHFFFAOYSA-M

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