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

Systemtic Name: [4-[bis[3-(carboxymethyl)-4-methoxy-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[bis[3-(carboxymethyl)-4-methoxy-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[bis[3-(carboxymethyl)-4-methoxy-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C27H28NO6+ MolecularWeight: 462.51432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC(=C(C2=CC(=C(C=C2)OC)CC(=O)O)C3=CC(=C(C=C3)OC)CC(=O)O)C=C1)C

Isomeric SMILES

C[N+](=C1C=CC(=C(C2=CC(=C(C=C2)OC)CC(=O)O)C3=CC(=C(C=C3)OC)CC(=O)O)C=C1)C

InChI

InChI=1S/C27H27NO6/c1-28(2)22-9-5-17(6-10-22)27(18-7-11-23(33-3)20(13-18)15-25(29)30)19-8-12-24(34-4)21(14-19)16-26(31)32/h5-14H,15-16H2,1-4H3,(H-,29,30,31,32)/p+1