(2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indole sulfate

Systemtic Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indole sulfate Openeye Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline sulfate CAS Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-3-indol-1-iumylidene)ethylidene]indole sulfate IUPAC Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenylindol-1-ium-3-ylidene)ethylidene]indole sulfate Traditional Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline sulfate Formula: C58H58N4O6S MolecularWeight: 939.16932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OC)N(C1=CC=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)C)C.CC1(C2=C(C=CC(=C2)OC)N(C1=CC=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1(/C(=C\C=C/2\C(=[N+](C3=CC=CC=C23)C)C4=CC=CC=C4)/N(C5=C1C=C(C=C5)OC)C)C.CC1(/C(=C\C=C/2\C(=[N+](C3=CC=CC=C23)C)C4=CC=CC=C4)/N(C5=C1C=C(C=C5)OC)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C29H29N2O.H2O4S/c2*1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h2*6-19H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2