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

Systemtic Name: 3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-hydroxy-3-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 2-hydroxy-3-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C29H34O4S MolecularWeight: 478.64286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SC3=CC=C(C=C3)O

InChI

InChI=1S/C29H34O4S/c30-24-18-20-25(21-19-24)34-28(27(31)29(32)33)26-17-11-10-16-23(26)15-9-4-2-1-3-6-12-22-13-7-5-8-14-22/h5,7-8,10-11,13-14,16-21,27-28,30-31H,1-4,6,9,12,15H2,(H,32,33)