3-(1,3-diphenylbutyl)-4,5-bis(oxidanyl)benzenesulfonic acid

Systemtic Name: 3-(1,3-diphenylbutyl)-4,5-bis(oxidanyl)benzenesulfonic acid Openeye Name: 3-(1,3-diphenylbutyl)-4,5-dihydroxy-benzenesulfonic acid CAS Name: 3-(1,3-diphenylbutyl)-4,5-dihydroxybenzenesulfonic acid IUPAC Name: 3-(1,3-diphenylbutyl)-4,5-dihydroxybenzenesulfonic acid Traditional Name: 3-(1,3-diphenylbutyl)-4,5-dihydroxy-besylic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=CC(=CC(=C2O)O)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=CC(=CC(=C2O)O)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-15(16-8-4-2-5-9-16)12-19(17-10-6-3-7-11-17)20-13-18(28(25,26)27)14-21(23)22(20)24/h2-11,13-15,19,23-24H,12H2,1H3,(H,25,26,27)