3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid

Systemtic Name: 3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid Openeye Name: 3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid CAS Name: 3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid IUPAC Name: 3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid Traditional Name: 3,4-bis(2-ethylhexyl)benzene-1,2-disulfonic acid Formula: C22H38O6S2 MolecularWeight: 462.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CC)CCCC

InChI

InChI=1S/C22H38O6S2/c1-5-9-11-17(7-3)15-19-13-14-21(29(23,24)25)22(30(26,27)28)20(19)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24,25)(H,26,27,28)