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

Systemtic Name: 4-hexylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-hexylbenzene-1,2,3-trisulfonic acid CAS Name: 4-hexylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-hexylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-hexylbenzene-1,2,3-trisulfonic acid Formula: C12H18O9S3 MolecularWeight: 402.46092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O9S3/c1-2-3-4-5-6-9-7-8-10(22(13,14)15)12(24(19,20)21)11(9)23(16,17)18/h7-8H,2-6H2,1H3,(H,13,14,15)(H,16,17,18)(H,19,20,21)