4-[2-[(E)-2-[(3E)-2-chloranyl-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid hydroxide

Systemtic Name: 4-[2-[(E)-2-[(3E)-2-chloranyl-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid hydroxide Openeye Name: 4-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonic acid hydroxide CAS Name: 4-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)-2-indolylidene]ethylidene]-1-cyclohexenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]-1-butanesulfonic acid hydroxide IUPAC Name: 4-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid hydroxide Traditional Name: 4-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonic acid hydroxide Formula: C38H50ClN2O7S2- MolecularWeight: 746.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)CCCCS(=O)(=O)O)C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)O)(C)C)CCC3)Cl)C.[OH-]

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)CCCCS(=O)(=O)O)/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCS(=O)(=O)O)(C)C)/CCC3)Cl)C.[OH-]

InChI

InChI=1S/C38H49ClN2O6S2.H2O/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23,34H,9-15,24-27H2,1-4H3,(H,42,43,44)(H,45,46,47);1H2/p-1/b22-20+,29-21+,35-23+;