2-[(3-phenoxyphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(3-phenoxyphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-phenoxyphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[(3-phenoxyphenyl)methyl]pentanoic acid IUPAC Name: 2-[(3-phenoxyphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 5-mercapto-2-(3-phenoxybenzyl)valeric acid Formula: C18H20O3S MolecularWeight: 316.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C18H20O3S/c19-18(20)15(7-5-11-22)12-14-6-4-10-17(13-14)21-16-8-2-1-3-9-16/h1-4,6,8-10,13,15,22H,5,7,11-12H2,(H,19,20)