[6-[2-carboxyethyl(ethyl)amino]-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(2-carbomethoxyphenyl)-6-[2-carboxyethyl(ethyl)amino]xanthen-3-ylidene]-dimethyl-ammonium Formula: C28H29N2O5+ MolecularWeight: 473.54026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCN(CCC(=O)O)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H28N2O5/c1-5-30(15-14-26(31)32)19-11-13-23-25(17-19)35-24-16-18(29(2)3)10-12-22(24)27(23)20-8-6-7-9-21(20)28(33)34-4/h6-13,16-17H,5,14-15H2,1-4H3/p+1