3,4-dibutyl-6-oxidanyl-2-phenyl-benzenesulfonate

Systemtic Name: 3,4-dibutyl-6-oxidanyl-2-phenyl-benzenesulfonate Openeye Name: 3,4-dibutyl-6-hydroxy-2-phenyl-benzenesulfonate CAS Name: 3,4-dibutyl-6-hydroxy-2-phenylbenzenesulfonate IUPAC Name: 3,4-dibutyl-6-hydroxy-2-phenylbenzenesulfonate Traditional Name: 3,4-dibutyl-6-hydroxy-2-phenyl-besylate Formula: C20H25O4S- MolecularWeight: 361.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1CCCC)C2=CC=CC=C2)S(=O)(=O)[O-])O

Isomeric SMILES

CCCCC1=CC(=C(C(=C1CCCC)C2=CC=CC=C2)S(=O)(=O)[O-])O

InChI

InChI=1S/C20H26O4S/c1-3-5-10-16-14-18(21)20(25(22,23)24)19(17(16)13-6-4-2)15-11-8-7-9-12-15/h7-9,11-12,14,21H,3-6,10,13H2,1-2H3,(H,22,23,24)/p-1