3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoic acid Openeye Name: 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoic acid CAS Name: 3-[1,2-bis(4-hydroxyphenyl)ethylthio]propanoic acid IUPAC Name: 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoic acid Traditional Name: 3-[1,2-bis(4-hydroxyphenyl)ethylthio]propionic acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C2=CC=C(C=C2)O)SCCC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C2=CC=C(C=C2)O)SCCC(=O)O)O

InChI

InChI=1S/C17H18O4S/c18-14-5-1-12(2-6-14)11-16(22-10-9-17(20)21)13-3-7-15(19)8-4-13/h1-8,16,18-19H,9-11H2,(H,20,21)