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

Systemtic Name: 3,4-dihexylbenzene-1,2-disulfonic acid Openeye Name: 3,4-dihexylbenzene-1,2-disulfonic acid CAS Name: 3,4-dihexylbenzene-1,2-disulfonic acid IUPAC Name: 3,4-dihexylbenzene-1,2-disulfonic acid Traditional Name: 3,4-dihexylbenzene-1,2-disulfonic acid Formula: C18H30O6S2 MolecularWeight: 406.5572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCC

InChI

InChI=1S/C18H30O6S2/c1-3-5-7-9-11-15-13-14-17(25(19,20)21)18(26(22,23)24)16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,19,20,21)(H,22,23,24)