7-(4-pentoxyphenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(4-pentoxyphenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(4-pentoxyphenyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(4-pentoxyphenyl)heptanoic acid IUPAC Name: 7-(4-pentoxyphenyl)-2-sulfanylheptanoic acid Traditional Name: 7-(4-amoxyphenyl)-2-mercapto-enanthic acid Formula: C18H28O3S MolecularWeight: 324.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CCCCCC(C(=O)O)S

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CCCCCC(C(=O)O)S

InChI

InChI=1S/C18H28O3S/c1-2-3-7-14-21-16-12-10-15(11-13-16)8-5-4-6-9-17(22)18(19)20/h10-13,17,22H,2-9,14H2,1H3,(H,19,20)