[6-azanyl-9-(2-carboxy-3-oxidanyl-phenyl)xanthen-3-ylidene]azanium chloride

Systemtic Name: [6-azanyl-9-(2-carboxy-3-oxidanyl-phenyl)xanthen-3-ylidene]azanium chloride Openeye Name: [6-amino-9-(2-carboxy-3-hydroxy-phenyl)xanthen-3-ylidene]ammonium chloride CAS Name: [6-amino-9-(2-carboxy-3-hydroxyphenyl)-3-xanthenylidene]ammonium chloride IUPAC Name: [6-amino-9-(2-carboxy-3-hydroxyphenyl)xanthen-3-ylidene]azanium chloride Traditional Name: [6-amino-9-(2-carboxy-3-hydroxy-phenyl)xanthen-3-ylidene]ammonium chloride Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)O)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[Cl-]

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)O)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[Cl-]

InChI

InChI=1S/C20H14N2O4.ClH/c21-10-4-6-12-16(8-10)26-17-9-11(22)5-7-13(17)18(12)14-2-1-3-15(23)19(14)20(24)25;/h1-9,21,23H,22H2,(H,24,25);1H