[4-[bis[3-(carboxymethyl)-4-ethoxy-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium

Systemtic Name: [4-[bis[3-(carboxymethyl)-4-ethoxy-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[bis[3-(carboxymethyl)-4-ethoxy-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[bis[3-(carboxymethyl)-4-ethoxyphenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[bis[3-(carboxymethyl)-4-ethoxyphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[bis[3-(carboxymethyl)-4-ethoxy-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C29H32NO6+ MolecularWeight: 490.56748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3)OCC)CC(=O)O)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3)OCC)CC(=O)O)CC(=O)O

InChI

InChI=1S/C29H31NO6/c1-5-35-25-13-9-20(15-22(25)17-27(31)32)29(19-7-11-24(12-8-19)30(3)4)21-10-14-26(36-6-2)23(16-21)18-28(33)34/h7-16H,5-6,17-18H2,1-4H3,(H-,31,32,33,34)/p+1