3-octylbenzene-1,2-disulfonic acid

Systemtic Name: 3-octylbenzene-1,2-disulfonic acid Openeye Name: 3-octylbenzene-1,2-disulfonic acid CAS Name: 3-octylbenzene-1,2-disulfonic acid IUPAC Name: 3-octylbenzene-1,2-disulfonic acid Traditional Name: 3-octylbenzene-1,2-disulfonic acid Formula: C14H22O6S2 MolecularWeight: 350.45088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H22O6S2/c1-2-3-4-5-6-7-9-12-10-8-11-13(21(15,16)17)14(12)22(18,19)20/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)(H,18,19,20)