4-octylbenzene-1,2,3-trisulfonic acid

Systemtic Name: 4-octylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-octylbenzene-1,2,3-trisulfonic acid CAS Name: 4-octylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-octylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-octylbenzene-1,2,3-trisulfonic acid Formula: C14H22O9S3 MolecularWeight: 430.51408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O9S3/c1-2-3-4-5-6-7-8-11-9-10-12(24(15,16)17)14(26(21,22)23)13(11)25(18,19)20/h9-10H,2-8H2,1H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)