3-hexadecylbenzene-1,2-disulfonic acid

Systemtic Name: 3-hexadecylbenzene-1,2-disulfonic acid Openeye Name: 3-hexadecylbenzene-1,2-disulfonic acid CAS Name: 3-hexadecylbenzene-1,2-disulfonic acid IUPAC Name: 3-hexadecylbenzene-1,2-disulfonic acid Traditional Name: 3-cetylbenzene-1,2-disulfonic acid Formula: C22H38O6S2 MolecularWeight: 462.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H38O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(29(23,24)25)22(20)30(26,27)28/h16,18-19H,2-15,17H2,1H3,(H,23,24,25)(H,26,27,28)