2-ethoxy-5-[[4-[[4-(4-ethoxy-3-sulfo-phenyl)iminocyclohexa-2,5-dien-1-ylidene]-(1-methyl-2-phenyl-indol-3-yl)methyl]phenyl]amino]benzenesulfonic acid

Systemtic Name: 2-ethoxy-5-[[4-[[4-(4-ethoxy-3-sulfo-phenyl)iminocyclohexa-2,5-dien-1-ylidene]-(1-methyl-2-phenyl-indol-3-yl)methyl]phenyl]amino]benzenesulfonic acid Openeye Name: 2-ethoxy-5-[4-[[4-(4-ethoxy-3-sulfo-phenyl)iminocyclohexa-2,5-dien-1-ylidene]-(1-methyl-2-phenyl-indol-3-yl)methyl]anilino]benzenesulfonic acid CAS Name: 2-ethoxy-5-[4-[[4-(4-ethoxy-3-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]-(1-methyl-2-phenyl-3-indolyl)methyl]anilino]benzenesulfonic acid IUPAC Name: 2-ethoxy-5-[4-[[4-(4-ethoxy-3-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]-(1-methyl-2-phenylindol-3-yl)methyl]anilino]benzenesulfonic acid Traditional Name: 2-ethoxy-5-[4-[[4-(4-ethoxy-3-sulfo-phenyl)iminocyclohexa-2,5-dien-1-ylidene]-(1-methyl-2-phenyl-indol-3-yl)methyl]anilino]besylic acid Formula: C44H39N3O8S2 MolecularWeight: 801.92576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)OCC)S(=O)(=O)O)C=C3)C5=C(N(C6=CC=CC=C65)C)C7=CC=CC=C7)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)OCC)S(=O)(=O)O)C=C3)C5=C(N(C6=CC=CC=C65)C)C7=CC=CC=C7)S(=O)(=O)O

InChI

InChI=1S/C44H39N3O8S2/c1-4-54-38-25-23-34(27-40(38)56(48,49)50)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)57(51,52)53/h6-28,45H,4-5H2,1-3H3,(H,48,49,50)(H,51,52,53)