(4-oxidanylidene-2-phenylsulfanyl-chromen-3-yl) benzoate dihydrochloride

Systemtic Name: (4-oxidanylidene-2-phenylsulfanyl-chromen-3-yl) benzoate dihydrochloride Openeye Name: (4-oxo-2-phenylsulfanyl-chromen-3-yl) benzoate dihydrochloride CAS Name: benzoic acid [4-oxo-2-(phenylthio)-1-benzopyran-3-yl] ester dihydrochloride IUPAC Name: (4-oxo-2-phenylsulfanylchromen-3-yl) benzoate dihydrochloride Traditional Name: benzoic acid [4-keto-2-(phenylthio)chromen-3-yl] ester dihydrochloride Formula: C22H16Cl2O4S MolecularWeight: 447.33104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)SC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)SC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C22H14O4S.2ClH/c23-19-17-13-7-8-14-18(17)25-22(27-16-11-5-2-6-12-16)20(19)26-21(24)15-9-3-1-4-10-15;;/h1-14H;2*1H