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

Systemtic Name: 4-(2-butyloctyl)benzene-1,2,3-trisulfonic acid Openeye Name: 4-(2-butyloctyl)benzene-1,2,3-trisulfonic acid CAS Name: 4-(2-butyloctyl)benzene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-butyloctyl)benzene-1,2,3-trisulfonic acid Traditional Name: 4-(2-butyloctyl)benzene-1,2,3-trisulfonic acid Formula: C18H30O9S3 MolecularWeight: 486.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(CCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H30O9S3/c1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-16(28(19,20)21)18(30(25,26)27)17(15)29(22,23)24/h11-12,14H,3-10,13H2,1-2H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)