ethyl-[4-[[4-[ethyl-(3-sulfophenyl)amino]phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-(3-sulfophenyl)azanium

Systemtic Name: ethyl-[4-[[4-[ethyl-(3-sulfophenyl)amino]phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-(3-sulfophenyl)azanium Openeye Name: ethyl-[4-[[4-(N-ethyl-3-sulfo-anilino)phenyl]-(2-sulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-(3-sulfophenyl)ammonium CAS Name: ethyl-[4-[[4-(N-ethyl-3-sulfoanilino)phenyl]-(2-sulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-(3-sulfophenyl)ammonium IUPAC Name: ethyl-[4-[[4-(N-ethyl-3-sulfoanilino)phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-(3-sulfophenyl)azanium Traditional Name: ethyl-[4-[[4-(N-ethyl-3-sulfo-anilino)phenyl]-(2-sulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-(3-sulfophenyl)ammonium Formula: C35H33N2O9S3+ MolecularWeight: 721.83952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)C3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=CC=C4S(=O)(=O)O)C5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)C3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=CC=C4S(=O)(=O)O)C5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C35H32N2O9S3/c1-3-36(29-9-7-11-31(23-29)47(38,39)40)27-19-15-25(16-20-27)35(33-13-5-6-14-34(33)49(44,45)46)26-17-21-28(22-18-26)37(4-2)30-10-8-12-32(24-30)48(41,42)43/h5-24H,3-4H2,1-2H3,(H2-,38,39,40,41,42,43,44,45,46)/p+1