5-(2-carboxyethylsulfanyl)-5-(3-hydroxyphenyl)-3-methyl-pentanoic acid

Systemtic Name: 5-(2-carboxyethylsulfanyl)-5-(3-hydroxyphenyl)-3-methyl-pentanoic acid Openeye Name: 5-(2-carboxyethylsulfanyl)-5-(3-hydroxyphenyl)-3-methyl-pentanoic acid CAS Name: 5-(2-carboxyethylthio)-5-(3-hydroxyphenyl)-3-methylpentanoic acid IUPAC Name: 5-(2-carboxyethylsulfanyl)-5-(3-hydroxyphenyl)-3-methylpentanoic acid Traditional Name: 5-(2-carboxyethylthio)-5-(3-hydroxyphenyl)-3-methyl-valeric acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC(=CC=C1)O)SCCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CC(C1=CC(=CC=C1)O)SCCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H20O5S/c1-10(8-15(19)20)7-13(21-6-5-14(17)18)11-3-2-4-12(16)9-11/h2-4,9-10,13,16H,5-8H2,1H3,(H,17,18)(H,19,20)