1,2-dioctylbenzene; 2-sulfobutanedioate

Systemtic Name: 1,2-dioctylbenzene; 2-sulfobutanedioate Openeye Name: 1,2-dioctylbenzene; 2-sulfobutanedioate CAS Name: 1,2-dioctylbenzene; 2-sulfobutanedioate IUPAC Name: 1,2-dioctylbenzene; 2-sulfobutanedioate Traditional Name: 1,2-dioctylbenzene; 2-sulfosuccinate Formula: C26H42O7S-2 MolecularWeight: 498.67248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1CCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1CCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C22H38.C4H6O7S/c1-3-5-7-9-11-13-17-21-19-15-16-20-22(21)18-14-12-10-8-6-4-2;5-3(6)1-2(4(7)8)12(9,10)11/h15-16,19-20H,3-14,17-18H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2