3-hexylbenzene-1,2-disulfonic acid

Systemtic Name: 3-hexylbenzene-1,2-disulfonic acid Openeye Name: 3-hexylbenzene-1,2-disulfonic acid CAS Name: 3-hexylbenzene-1,2-disulfonic acid IUPAC Name: 3-hexylbenzene-1,2-disulfonic acid Traditional Name: 3-hexylbenzene-1,2-disulfonic acid Formula: C12H18O6S2 MolecularWeight: 322.39772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O6S2/c1-2-3-4-5-7-10-8-6-9-11(19(13,14)15)12(10)20(16,17)18/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)(H,16,17,18)