4-(2-pentylnonyl)benzene-1,2,3-trisulfonic acid

Systemtic Name: 4-(2-pentylnonyl)benzene-1,2,3-trisulfonic acid Openeye Name: 4-(2-pentylnonyl)benzene-1,2,3-trisulfonic acid CAS Name: 4-(2-pentylnonyl)benzene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-pentylnonyl)benzene-1,2,3-trisulfonic acid Traditional Name: 4-(2-amylnonyl)benzene-1,2,3-trisulfonic acid Formula: C20H34O9S3 MolecularWeight: 514.67356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(CCCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H34O9S3/c1-3-5-7-8-10-12-16(11-9-6-4-2)15-17-13-14-18(30(21,22)23)20(32(27,28)29)19(17)31(24,25)26/h13-14,16H,3-12,15H2,1-2H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)