2-[2-[2-(1,3-diphenylbutyl)-4-oxidanyl-phenyl]propan-2-yl]-5-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-[2-[2-(1,3-diphenylbutyl)-4-oxidanyl-phenyl]propan-2-yl]-5-oxidanyl-benzenesulfonic acid Openeye Name: 2-[1-[2-(1,3-diphenylbutyl)-4-hydroxy-phenyl]-1-methyl-ethyl]-5-hydroxy-benzenesulfonic acid CAS Name: 2-[2-[2-(1,3-diphenylbutyl)-4-hydroxyphenyl]propan-2-yl]-5-hydroxybenzenesulfonic acid IUPAC Name: 2-[2-[2-(1,3-diphenylbutyl)-4-hydroxyphenyl]propan-2-yl]-5-hydroxybenzenesulfonic acid Traditional Name: 2-[1-[2-(1,3-diphenylbutyl)-4-hydroxy-phenyl]-1-methyl-ethyl]-5-hydroxy-besylic acid Formula: C31H32O5S MolecularWeight: 516.64778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=C(C=CC(=C2)O)C(C)(C)C3=C(C=C(C=C3)O)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=C(C=CC(=C2)O)C(C)(C)C3=C(C=C(C=C3)O)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H32O5S/c1-21(22-10-6-4-7-11-22)18-26(23-12-8-5-9-13-23)27-19-24(32)14-16-28(27)31(2,3)29-17-15-25(33)20-30(29)37(34,35)36/h4-17,19-21,26,32-33H,18H2,1-3H3,(H,34,35,36)