3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonic acid

Systemtic Name: 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonic acid Openeye Name: 2-(4-isobutylphenyl)-3-methoxy-benzenesulfonic acid CAS Name: 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonic acid IUPAC Name: 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonic acid Traditional Name: 2-(4-isobutylphenyl)-3-methoxy-besylic acid Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=C2S(=O)(=O)O)OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=C2S(=O)(=O)O)OC

InChI

InChI=1S/C17H20O4S/c1-12(2)11-13-7-9-14(10-8-13)17-15(21-3)5-4-6-16(17)22(18,19)20/h4-10,12H,11H2,1-3H3,(H,18,19,20)