7-(6,7-dimethoxynaphthalen-2-yl)sulfanylheptanoic acid

Systemtic Name: 7-(6,7-dimethoxynaphthalen-2-yl)sulfanylheptanoic acid Openeye Name: 7-[(6,7-dimethoxy-2-naphthyl)sulfanyl]heptanoic acid CAS Name: 7-[(6,7-dimethoxy-2-naphthalenyl)thio]heptanoic acid IUPAC Name: 7-(6,7-dimethoxynaphthalen-2-yl)sulfanylheptanoic acid Traditional Name: 7-[(6,7-dimethoxy-2-naphthyl)thio]enanthic acid Formula: C19H24O4S MolecularWeight: 348.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=C1)SCCCCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=C1)SCCCCCCC(=O)O)OC

InChI

InChI=1S/C19H24O4S/c1-22-17-12-14-8-9-16(11-15(14)13-18(17)23-2)24-10-6-4-3-5-7-19(20)21/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,21)