3,4-dioctadecylbenzene-1,2-disulfonic acid

Systemtic Name: 3,4-dioctadecylbenzene-1,2-disulfonic acid Openeye Name: 3,4-dioctadecylbenzene-1,2-disulfonic acid CAS Name: 3,4-dioctadecylbenzene-1,2-disulfonic acid IUPAC Name: 3,4-dioctadecylbenzene-1,2-disulfonic acid Traditional Name: 3,4-distearylbenzene-1,2-disulfonic acid Formula: C42H78O6S2 MolecularWeight: 743.19512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H78O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-38-41(49(43,44)45)42(50(46,47)48)40(39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,43,44,45)(H,46,47,48)