dicyclohexyl 2,5-bis(oxidanyl)-3-(phenylmethyl)sulfonyl-benzene-1,4-dicarboxylate

Systemtic Name: dicyclohexyl 2,5-bis(oxidanyl)-3-(phenylmethyl)sulfonyl-benzene-1,4-dicarboxylate Openeye Name: dicyclohexyl 3-benzylsulfonyl-2,5-dihydroxy-benzene-1,4-dicarboxylate CAS Name: 2,5-dihydroxy-3-(phenylmethyl)sulfonylbenzene-1,4-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 3-benzylsulfonyl-2,5-dihydroxybenzene-1,4-dicarboxylate Traditional Name: 3-benzylsulfonyl-2,5-dihydroxy-benzene-1,4-dicarboxylic acid dicyclohexyl ester Formula: C27H32O8S MolecularWeight: 516.60318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=C(C(=C2O)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC4CCCCC4)O

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=C(C(=C2O)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC4CCCCC4)O

InChI

InChI=1S/C27H32O8S/c28-22-16-21(26(30)34-19-12-6-2-7-13-19)24(29)25(36(32,33)17-18-10-4-1-5-11-18)23(22)27(31)35-20-14-8-3-9-15-20/h1,4-5,10-11,16,19-20,28-29H,2-3,6-9,12-15,17H2