[5-azanyl-8-(2-carboxyphenyl)xanthen-3-ylidene]azanium chloride

Systemtic Name: [5-azanyl-8-(2-carboxyphenyl)xanthen-3-ylidene]azanium chloride Openeye Name: [5-amino-8-(2-carboxyphenyl)xanthen-3-ylidene]ammonium chloride CAS Name: [5-amino-8-(2-carboxyphenyl)-3-xanthenylidene]ammonium chloride IUPAC Name: [5-amino-8-(2-carboxyphenyl)xanthen-3-ylidene]azanium chloride Traditional Name: [5-amino-8-(2-carboxyphenyl)xanthen-3-ylidene]ammonium chloride Formula: C20H15ClN2O3 MolecularWeight: 366.7977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C4C=CC(=[NH2+])C=C4OC3=C(C=C2)N)C(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C4C=CC(=[NH2+])C=C4OC3=C(C=C2)N)C(=O)O.[Cl-]

InChI

InChI=1S/C20H14N2O3.ClH/c21-12-6-5-11-9-16-14(13-3-1-2-4-15(13)20(23)24)7-8-17(22)19(16)25-18(11)10-12;/h1-10,21H,22H2,(H,23,24);1H