4-[(3,4-dimethylphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-7-hydroxy-coumarin Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C18H16O3S/c1-11-3-5-15(7-12(11)2)22-10-13-8-18(20)21-17-9-14(19)4-6-16(13)17/h3-9,19H,10H2,1-2H3