[9-(2-carboxy-4-ethoxycarbonyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxy-4-ethoxycarbonyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxy-4-ethoxycarbonyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxy-4-ethoxycarbonylphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxy-4-ethoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(4-carbethoxy-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C31H35N2O5+ MolecularWeight: 515.62

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)OCC)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)OCC)C(=O)O

InChI

InChI=1S/C31H34N2O5/c1-6-32(7-2)21-12-15-24-27(18-21)38-28-19-22(33(8-3)9-4)13-16-25(28)29(24)23-14-11-20(31(36)37-10-5)17-26(23)30(34)35/h11-19H,6-10H2,1-5H3/p+1