3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonic acid

Systemtic Name: 3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonic acid Openeye Name: 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)benzenesulfonic acid CAS Name: 3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonic acid IUPAC Name: 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)benzenesulfonic acid Traditional Name: 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)besylic acid Formula: C24H34O3S MolecularWeight: 402.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CCC(C)CC(C)(C)C)S(=O)(=O)O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1CCC(C)CC(C)(C)C)S(=O)(=O)O)CC2=CC=CC=C2)C

InChI

InChI=1S/C24H34O3S/c1-17(16-24(4,5)6)12-13-21-15-23(28(25,26)27)22(19(3)18(21)2)14-20-10-8-7-9-11-20/h7-11,15,17H,12-14,16H2,1-6H3,(H,25,26,27)