3-[1,3-benzodioxol-5-yl(phenylsulfanyl)methyl]-4-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]oxolan-2-one

Systemtic Name: 3-[1,3-benzodioxol-5-yl(phenylsulfanyl)methyl]-4-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]oxolan-2-one Openeye Name: 3-[1,3-benzodioxol-5-yl(phenylsulfanyl)methyl]-4-[(3,4-dimethoxyphenyl)-hydroxy-methyl]tetrahydrofuran-2-one CAS Name: 3-[1,3-benzodioxol-5-yl-(phenylthio)methyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethyl]-2-oxolanone IUPAC Name: 3-[1,3-benzodioxol-5-yl(phenylsulfanyl)methyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethyl]oxolan-2-one Traditional Name: 3-[1,3-benzodioxol-5-yl-(phenylthio)methyl]-4-[(3,4-dimethoxyphenyl)-hydroxy-methyl]tetrahydrofuran-2-one Formula: C27H26O7S MolecularWeight: 494.55614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2COC(=O)C2C(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2COC(=O)C2C(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5)O)OC

InChI

InChI=1S/C27H26O7S/c1-30-20-10-8-16(12-22(20)31-2)25(28)19-14-32-27(29)24(19)26(35-18-6-4-3-5-7-18)17-9-11-21-23(13-17)34-15-33-21/h3-13,19,24-26,28H,14-15H2,1-2H3