5-isothiocyanato-2-(6-oxidanylidene-8a,9-dihydroxanthen-9-yl)benzoic acid

Systemtic Name: 5-isothiocyanato-2-(6-oxidanylidene-8a,9-dihydroxanthen-9-yl)benzoic acid Openeye Name: 5-isothiocyanato-2-(6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid CAS Name: 5-isothiocyanato-2-(6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid IUPAC Name: 5-isothiocyanato-2-(6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid Traditional Name: 5-isothiocyanato-2-(6-keto-8a,9-dihydroxanthen-9-yl)benzoic acid Formula: C21H13NO4S MolecularWeight: 375.39722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

InChI

InChI=1S/C21H13NO4S/c23-13-6-8-16-19(10-13)26-18-4-2-1-3-15(18)20(16)14-7-5-12(22-11-27)9-17(14)21(24)25/h1-10,16,20H,(H,24,25)