2,3-bis(16-methylheptadecyl)benzenesulfonic acid

Systemtic Name: 2,3-bis(16-methylheptadecyl)benzenesulfonic acid Openeye Name: 2,3-bis(16-methylheptadecyl)benzenesulfonic acid CAS Name: 2,3-bis(16-methylheptadecyl)benzenesulfonic acid IUPAC Name: 2,3-bis(16-methylheptadecyl)benzenesulfonic acid Traditional Name: 2,3-bis(16-methylheptadecyl)besylic acid Formula: C42H78O3S MolecularWeight: 663.13192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C42H78O3S/c1-38(2)32-27-23-19-15-11-7-5-9-13-17-21-25-29-34-40-35-31-37-42(46(43,44)45)41(40)36-30-26-22-18-14-10-6-8-12-16-20-24-28-33-39(3)4/h31,35,37-39H,5-30,32-34,36H2,1-4H3,(H,43,44,45)