2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(3-sulfanylpropanoylamino)benzoate

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(3-sulfanylpropanoylamino)benzoate Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(3-sulfanylpropanoylamino)benzoate CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[(3-mercapto-1-oxopropyl)amino]benzoate IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(3-sulfanylpropanoylamino)benzoate Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-(3-mercaptopropanoylamino)benzoate Formula: C23H16NO6S- MolecularWeight: 434.44124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCS)C(=O)[O-])C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCS)C(=O)[O-])C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C23H17NO6S/c25-13-2-5-16-19(10-13)30-20-11-14(26)3-6-17(20)22(16)15-4-1-12(9-18(15)23(28)29)24-21(27)7-8-31/h1-6,9-11,25,31H,7-8H2,(H,24,27)(H,28,29)/p-1