[2-ethanoyl-6-(3-methyl-3-oxidanyl-but-1-ynyl)-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-6-(3-methyl-3-oxidanyl-but-1-ynyl)-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-acetyl-3,5-dibenzyloxy-6-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-6-(3-hydroxy-3-methylbut-1-ynyl)-3,5-bis(phenylmethoxy)phenyl] ester IUPAC Name: [2-acetyl-6-(3-hydroxy-3-methylbut-1-ynyl)-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-acetyl-3,5-dibenzoxy-6-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] ester Formula: C34H32O7S MolecularWeight: 584.67868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2C(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C#CC(C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2C(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C#CC(C)(C)O

InChI

InChI=1S/C34H32O7S/c1-24-15-17-28(18-16-24)42(37,38)41-33-29(19-20-34(3,4)36)30(39-22-26-11-7-5-8-12-26)21-31(32(33)25(2)35)40-23-27-13-9-6-10-14-27/h5-18,21,36H,22-23H2,1-4H3