3,5-bis(1,3-diphenylbutyl)-2-oxidanyl-6-phenyl-benzenesulfonic acid

Systemtic Name: 3,5-bis(1,3-diphenylbutyl)-2-oxidanyl-6-phenyl-benzenesulfonic acid Openeye Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-phenyl-benzenesulfonic acid CAS Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-phenylbenzenesulfonic acid IUPAC Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-phenylbenzenesulfonic acid Traditional Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-phenyl-besylic acid Formula: C44H42O4S MolecularWeight: 666.86688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)S(=O)(=O)O)O)C(CC(C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)S(=O)(=O)O)O)C(CC(C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C44H42O4S/c1-31(33-18-8-3-9-19-33)28-38(35-22-12-5-13-23-35)40-30-41(43(45)44(49(46,47)48)42(40)37-26-16-7-17-27-37)39(36-24-14-6-15-25-36)29-32(2)34-20-10-4-11-21-34/h3-27,30-32,38-39,45H,28-29H2,1-2H3,(H,46,47,48)