1-(3-methylsulfonyl-5-phenylmethoxy-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol

Systemtic Name: 1-(3-methylsulfonyl-5-phenylmethoxy-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Openeye Name: 1-(3-benzyloxy-5-methylsulfonyl-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol CAS Name: 1-(3-methylsulfonyl-5-phenylmethoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol IUPAC Name: 1-(3-methylsulfonyl-5-phenylmethoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Traditional Name: 1-(3-benzoxy-5-mesyl-4-propoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Formula: C30H38O9S MolecularWeight: 574.68232

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)(=O)C)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)(=O)C)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H38O9S/c1-6-14-38-30-27(39-19-20-10-8-7-9-11-20)17-22(18-28(30)40(5,33)34)24(32)13-12-23(31)21-15-25(35-2)29(37-4)26(16-21)36-3/h7-11,15-18,23-24,31-32H,6,12-14,19H2,1-5H3