1-[3-(2-hydroxyethylsulfanyl)-4-oxidanyl-5-phenylmethoxy-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[3-(2-hydroxyethylsulfanyl)-4-oxidanyl-5-phenylmethoxy-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Openeye Name: 1-[3-benzyloxy-4-hydroxy-5-(2-hydroxyethylsulfanyl)phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-hydroxy-3-(2-hydroxyethylthio)-5-phenylmethoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-hydroxy-3-(2-hydroxyethylsulfanyl)-5-phenylmethoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Traditional Name: 1-[3-benzoxy-4-hydroxy-5-(2-hydroxyethylthio)phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Formula: C28H30O8S MolecularWeight: 526.598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC(=O)C2=CC(=C(C(=C2)SCCO)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC(=O)C2=CC(=C(C(=C2)SCCO)O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30O8S/c1-33-24-14-19(15-25(34-2)28(24)35-3)21(30)9-10-22(31)20-13-23(27(32)26(16-20)37-12-11-29)36-17-18-7-5-4-6-8-18/h4-8,13-16,29,32H,9-12,17H2,1-3H3