4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-hydroxy-coumarin Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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