4-[4-(2-methyl-1-oxidanyl-propan-2-yl)oxyphenyl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-methyl-1-oxidanyl-propan-2-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 4-[4-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]benzenesulfonic acid CAS Name: 4-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]benzenesulfonic acid IUPAC Name: 4-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]benzenesulfonic acid Traditional Name: 4-[4-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]besylic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)OC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)(CO)OC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H18O5S/c1-16(2,11-17)21-14-7-3-12(4-8-14)13-5-9-15(10-6-13)22(18,19)20/h3-10,17H,11H2,1-2H3,(H,18,19,20)