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

Systemtic Name: 4-(2-ethylhexyl)benzene-1,2,3-trisulfonic acid Openeye Name: 4-(2-ethylhexyl)benzene-1,2,3-trisulfonic acid CAS Name: 4-(2-ethylhexyl)benzene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-ethylhexyl)benzene-1,2,3-trisulfonic acid Traditional Name: 4-(2-ethylhexyl)benzene-1,2,3-trisulfonic acid Formula: C14H22O9S3 MolecularWeight: 430.51408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O9S3/c1-3-5-6-10(4-2)9-11-7-8-12(24(15,16)17)14(26(21,22)23)13(11)25(18,19)20/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)