S-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl] benzenecarbothioate Openeye Name: S-[(2-hydroxy-4-oxo-chromen-3-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl] ester IUPAC Name: S-[(2-hydroxy-4-oxochromen-3-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2-hydroxy-4-keto-chromen-3-yl)methyl] ester Formula: C17H12O4S MolecularWeight: 312.33978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C17H12O4S/c18-15-12-8-4-5-9-14(12)21-16(19)13(15)10-22-17(20)11-6-2-1-3-7-11/h1-9,19H,10H2