[3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methyl-pentyl] 4-ethylbenzenesulfonate

Systemtic Name: [3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methyl-pentyl] 4-ethylbenzenesulfonate Openeye Name: [3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methyl-pentyl] 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid [3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methylpentyl] ester IUPAC Name: [3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methylpentyl] 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid [3,5-bis[(4-ethylphenyl)sulfonyloxy]-3-methyl-pentyl] ester Formula: C30H38O9S3 MolecularWeight: 638.81232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(CCOS(=O)(=O)C2=CC=C(C=C2)CC)OS(=O)(=O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(CCOS(=O)(=O)C2=CC=C(C=C2)CC)OS(=O)(=O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C30H38O9S3/c1-5-24-8-14-27(15-9-24)40(31,32)37-22-20-30(4,39-42(35,36)29-18-12-26(7-3)13-19-29)21-23-38-41(33,34)28-16-10-25(6-2)11-17-28/h8-19H,5-7,20-23H2,1-4H3