4-[5-(4-methoxycarbonylphenyl)hexan-3-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(4-methoxycarbonylphenyl)hexan-3-yl]benzenesulfonic acid Openeye Name: 4-[1-ethyl-3-(4-methoxycarbonylphenyl)butyl]benzenesulfonic acid CAS Name: 4-[5-(4-methoxycarbonylphenyl)hexan-3-yl]benzenesulfonic acid IUPAC Name: 4-[5-(4-methoxycarbonylphenyl)hexan-3-yl]benzenesulfonic acid Traditional Name: 4-[3-(4-carbomethoxyphenyl)-1-ethyl-butyl]besylic acid Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O5S/c1-4-15(17-9-11-19(12-10-17)26(22,23)24)13-14(2)16-5-7-18(8-6-16)20(21)25-3/h5-12,14-15H,4,13H2,1-3H3,(H,22,23,24)