3-butylbenzene-1,2-disulfonic acid

Systemtic Name: 3-butylbenzene-1,2-disulfonic acid Openeye Name: 3-butylbenzene-1,2-disulfonic acid CAS Name: 3-butylbenzene-1,2-disulfonic acid IUPAC Name: 3-butylbenzene-1,2-disulfonic acid Traditional Name: 3-butylbenzene-1,2-disulfonic acid Formula: C10H14O6S2 MolecularWeight: 294.34456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H14O6S2/c1-2-3-5-8-6-4-7-9(17(11,12)13)10(8)18(14,15)16/h4,6-7H,2-3,5H2,1H3,(H,11,12,13)(H,14,15,16)