4-[4-(4-sulfophenyl)hexan-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzoic acid Openeye Name: 4-[1-methyl-3-(4-sulfophenyl)pentyl]benzoic acid CAS Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzoic acid IUPAC Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzoic acid Traditional Name: 4-[1-methyl-3-(4-sulfophenyl)pentyl]benzoic acid Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C19H22O5S/c1-3-14(16-8-10-18(11-9-16)25(22,23)24)12-13(2)15-4-6-17(7-5-15)19(20)21/h4-11,13-14H,3,12H2,1-2H3,(H,20,21)(H,22,23,24)