4-(3-azanyl-6-oxidanylidene-xanthen-9-yl)-3-sulfo-benzoic acid

Systemtic Name: 4-(3-azanyl-6-oxidanylidene-xanthen-9-yl)-3-sulfo-benzoic acid Openeye Name: 4-(3-amino-6-oxo-xanthen-9-yl)-3-sulfo-benzoic acid CAS Name: 4-(3-amino-6-oxo-9-xanthenyl)-3-sulfobenzoic acid IUPAC Name: 4-(3-amino-6-oxoxanthen-9-yl)-3-sulfobenzoic acid Traditional Name: 4-(3-amino-6-keto-xanthen-9-yl)-3-sulfo-benzoic acid Formula: C20H13NO7S MolecularWeight: 411.38472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)N

InChI

InChI=1S/C20H13NO7S/c21-11-2-5-13-16(8-11)28-17-9-12(22)3-6-14(17)19(13)15-4-1-10(20(23)24)7-18(15)29(25,26)27/h1-9H,21H2,(H,23,24)(H,25,26,27)