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

Systemtic Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[1-methyl-3-(4-sulfophenyl)pentyl]benzenesulfonic acid CAS Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-(4-sulfophenyl)hexan-2-yl]benzenesulfonic acid Traditional Name: 4-[1-methyl-3-(4-sulfophenyl)pentyl]besylic acid Formula: C18H22O6S2 MolecularWeight: 398.49368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6S2/c1-3-14(16-6-10-18(11-7-16)26(22,23)24)12-13(2)15-4-8-17(9-5-15)25(19,20)21/h4-11,13-14H,3,12H2,1-2H3,(H,19,20,21)(H,22,23,24)