2-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 2-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 2-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C29H34O3S MolecularWeight: 462.64346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)SC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)SC3=CC=C(C=C3)O

InChI

InChI=1S/C29H34O3S/c30-26-18-20-27(21-19-26)33-28(29(31)32)22-25-17-11-10-16-24(25)15-9-4-2-1-3-6-12-23-13-7-5-8-14-23/h5,7-8,10-11,13-14,16-21,28,30H,1-4,6,9,12,15,22H2,(H,31,32)