2-[(2-heptyl-3-oxidanyl-phenyl)-diphenyl-methyl]sulfanylbutanoic acid

Systemtic Name: 2-[(2-heptyl-3-oxidanyl-phenyl)-diphenyl-methyl]sulfanylbutanoic acid Openeye Name: 2-[(2-heptyl-3-hydroxy-phenyl)-diphenyl-methyl]sulfanylbutanoic acid CAS Name: 2-[[(2-heptyl-3-hydroxyphenyl)-diphenylmethyl]thio]butanoic acid IUPAC Name: 2-[(2-heptyl-3-hydroxyphenyl)-diphenylmethyl]sulfanylbutanoic acid Traditional Name: 2-[[(2-heptyl-3-hydroxy-phenyl)-diphenyl-methyl]thio]butyric acid Formula: C30H36O3S MolecularWeight: 476.67004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC=C1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(CC)C(=O)O

Isomeric SMILES

CCCCCCCC1=C(C=CC=C1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(CC)C(=O)O

InChI

InChI=1S/C30H36O3S/c1-3-5-6-7-14-20-25-26(21-15-22-27(25)31)30(23-16-10-8-11-17-23,24-18-12-9-13-19-24)34-28(4-2)29(32)33/h8-13,15-19,21-22,28,31H,3-7,14,20H2,1-2H3,(H,32,33)