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

Systemtic Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-phenyl-xanthen-3-ylidene]-ethyl-azanium Openeye Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-phenyl-xanthen-3-ylidene]-ethyl-ammonium CAS Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-phenyl-3-xanthenylidene]-ethylammonium IUPAC Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-phenylxanthen-3-ylidene]-ethylazanium Traditional Name: 2-carboxyethyl-[6-[2-carboxyethyl(ethyl)amino]-9-phenyl-xanthen-3-ylidene]-ethyl-ammonium Formula: C29H31N2O5+ MolecularWeight: 487.56684

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O5/c1-3-30(16-14-27(32)33)21-10-12-23-25(18-21)36-26-19-22(31(4-2)17-15-28(34)35)11-13-24(26)29(23)20-8-6-5-7-9-20/h5-13,18-19H,3-4,14-17H2,1-2H3,(H-,32,33,34,35)/p+1