3-butyl-2-oxidanyl-6-phenyl-benzenesulfonic acid

Systemtic Name: 3-butyl-2-oxidanyl-6-phenyl-benzenesulfonic acid Openeye Name: 3-butyl-2-hydroxy-6-phenyl-benzenesulfonic acid CAS Name: 3-butyl-2-hydroxy-6-phenylbenzenesulfonic acid IUPAC Name: 3-butyl-2-hydroxy-6-phenylbenzenesulfonic acid Traditional Name: 3-butyl-2-hydroxy-6-phenyl-besylic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H18O4S/c1-2-3-7-13-10-11-14(12-8-5-4-6-9-12)16(15(13)17)21(18,19)20/h4-6,8-11,17H,2-3,7H2,1H3,(H,18,19,20)