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

Systemtic Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-ethyl-azanium Openeye Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-ethyl-ammonium CAS Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3-xanthenylidene]-ethylammonium IUPAC Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-ethylazanium Traditional Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-ethyl-ammonium Formula: C30H31N2O7+ MolecularWeight: 531.57634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O7/c1-3-31(15-13-27(33)34)19-9-11-23-25(17-19)39-26-18-20(32(4-2)16-14-28(35)36)10-12-24(26)29(23)21-7-5-6-8-22(21)30(37)38/h5-12,17-18H,3-4,13-16H2,1-2H3,(H2-,33,34,35,36,37,38)/p+1