1-(3-methylsulfanyl-5-phenylmethoxy-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-(3-methylsulfanyl-5-phenylmethoxy-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Openeye Name: 1-(3-benzyloxy-5-methylsulfanyl-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione CAS Name: 1-[3-(methylthio)-5-phenylmethoxy-4-propoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-(3-methylsulfanyl-5-phenylmethoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Traditional Name: 1-[3-benzoxy-5-(methylthio)-4-propoxy-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Formula: C30H34O7S MolecularWeight: 538.65176

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1SC)C(=O)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1SC)C(=O)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C30H34O7S/c1-6-14-36-30-27(37-19-20-10-8-7-9-11-20)17-22(18-28(30)38-5)24(32)13-12-23(31)21-15-25(33-2)29(35-4)26(16-21)34-3/h7-11,15-18H,6,12-14,19H2,1-5H3