4-(3-methylsulfonyl-5-phenylmethoxy-4-propoxy-phenyl)-4-oxidanyl-1-(3,4,5-trimethoxyphenyl)butan-1-one

Systemtic Name: 4-(3-methylsulfonyl-5-phenylmethoxy-4-propoxy-phenyl)-4-oxidanyl-1-(3,4,5-trimethoxyphenyl)butan-1-one Openeye Name: 4-(3-benzyloxy-5-methylsulfonyl-4-propoxy-phenyl)-4-hydroxy-1-(3,4,5-trimethoxyphenyl)butan-1-one CAS Name: 4-hydroxy-4-(3-methylsulfonyl-5-phenylmethoxy-4-propoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1-butanone IUPAC Name: 4-hydroxy-4-(3-methylsulfonyl-5-phenylmethoxy-4-propoxyphenyl)-1-(3,4,5-trimethoxyphenyl)butan-1-one Traditional Name: 4-(3-benzoxy-5-mesyl-4-propoxy-phenyl)-4-hydroxy-1-(3,4,5-trimethoxyphenyl)butan-1-one Formula: C30H36O9S MolecularWeight: 572.66644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36O9S/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/h7-11,15-18,24,32H,6,12-14,19H2,1-5H3