(2-nonylphenyl) 3-sulfanylpropanoate

Systemtic Name: (2-nonylphenyl) 3-sulfanylpropanoate Openeye Name: (2-nonylphenyl) 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid (2-nonylphenyl) ester Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CCS

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CCS

InChI

InChI=1S/C18H28O2S/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)20-18(19)14-15-21/h9-10,12-13,21H,2-8,11,14-15H2,1H3