[10-(4-carboxyphenyl)-7-[(4-carboxyphenyl)methyl-ethyl-amino]-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium

Systemtic Name: [10-(4-carboxyphenyl)-7-[(4-carboxyphenyl)methyl-ethyl-amino]-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium Openeye Name: [10-(4-carboxyphenyl)-7-[(4-carboxyphenyl)methyl-ethyl-amino]-9,9-dimethyl-2-anthrylidene]-dimethyl-ammonium CAS Name: [10-(4-carboxyphenyl)-7-[(4-carboxyphenyl)methyl-ethylamino]-9,9-dimethyl-2-anthracenylidene]-dimethylammonium IUPAC Name: [10-(4-carboxyphenyl)-7-[(4-carboxyphenyl)methyl-ethylamino]-9,9-dimethylanthracen-2-ylidene]-dimethylazanium Traditional Name: [7-[(4-carboxybenzyl)-ethyl-amino]-10-(4-carboxyphenyl)-9,9-dimethyl-2-anthrylidene]-dimethyl-ammonium Formula: C35H35N2O4+ MolecularWeight: 547.6634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=C4C=CC(=[N+](C)C)C=C4C3(C)C)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=C4C=CC(=[N+](C)C)C=C4C3(C)C)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C35H34N2O4/c1-6-37(21-22-7-9-24(10-8-22)33(38)39)27-16-18-29-31(20-27)35(2,3)30-19-26(36(4)5)15-17-28(30)32(29)23-11-13-25(14-12-23)34(40)41/h7-20H,6,21H2,1-5H3,(H-,38,39,40,41)/p+1