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

Systemtic Name: 3,5-bis(1,3-diphenylbutyl)-2-methyl-6-oxidanyl-benzenesulfonic acid Openeye Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-methyl-benzenesulfonic acid CAS Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-methylbenzenesulfonic acid IUPAC Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-methylbenzenesulfonic acid Traditional Name: 3,5-bis(1,3-diphenylbutyl)-2-hydroxy-6-methyl-besylic acid Formula: C39H40O4S MolecularWeight: 604.7975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)C(CC(C)C4=CC=CC=C4)C5=CC=CC=C5)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)C(CC(C)C4=CC=CC=C4)C5=CC=CC=C5)O)S(=O)(=O)O

InChI

InChI=1S/C39H40O4S/c1-27(30-16-8-4-9-17-30)24-35(32-20-12-6-13-21-32)34-26-37(38(40)39(29(34)3)44(41,42)43)36(33-22-14-7-15-23-33)25-28(2)31-18-10-5-11-19-31/h4-23,26-28,35-36,40H,24-25H2,1-3H3,(H,41,42,43)