5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanylpentanoic acid

Systemtic Name: 5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanylpentanoic acid Openeye Name: 5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanylpentanoic acid CAS Name: 5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]pentanoic acid IUPAC Name: 5-(2-naphthalen-2-yl-2-oxoethyl)sulfanylpentanoic acid Traditional Name: 5-[[2-keto-2-(2-naphthyl)ethyl]thio]valeric acid Formula: C17H18O3S MolecularWeight: 302.38802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CSCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CSCCCCC(=O)O

InChI

InChI=1S/C17H18O3S/c18-16(12-21-10-4-3-7-17(19)20)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,19,20)