2-(2-methylpentadecan-2-yl)benzene-1,3,5-trisulfonic acid

Systemtic Name: 2-(2-methylpentadecan-2-yl)benzene-1,3,5-trisulfonic acid Openeye Name: 2-(1,1-dimethyltetradecyl)benzene-1,3,5-trisulfonic acid CAS Name: 2-(2-methylpentadecan-2-yl)benzene-1,3,5-trisulfonic acid IUPAC Name: 2-(2-methylpentadecan-2-yl)benzene-1,3,5-trisulfonic acid Traditional Name: 2-(1,1-dimethyltetradecyl)benzene-1,3,5-trisulfonic acid Formula: C22H38O9S3 MolecularWeight: 542.72672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(C)C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C)(C)C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H38O9S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(2,3)21-19(33(26,27)28)16-18(32(23,24)25)17-20(21)34(29,30)31/h16-17H,4-15H2,1-3H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)