2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]benzoate IUPAC Name: 2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]benzoate Formula: C18H13O5S- MolecularWeight: 341.35782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H14O5S/c1-22-12-6-7-13-11(8-17(19)23-15(13)9-12)10-24-16-5-3-2-4-14(16)18(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1