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

Systemtic Name: 4-nonylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-nonylbenzene-1,2,3-trisulfonic acid CAS Name: 4-nonylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-nonylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-nonylbenzene-1,2,3-trisulfonic acid Formula: C15H24O9S3 MolecularWeight: 444.54066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H24O9S3/c1-2-3-4-5-6-7-8-9-12-10-11-13(25(16,17)18)15(27(22,23)24)14(12)26(19,20)21/h10-11H,2-9H2,1H3,(H,16,17,18)(H,19,20,21)(H,22,23,24)