5,5-dimethyl-3-naphthalen-2-ylsulfanyl-hexanoic acid

Systemtic Name: 5,5-dimethyl-3-naphthalen-2-ylsulfanyl-hexanoic acid Openeye Name: 5,5-dimethyl-3-(2-naphthylsulfanyl)hexanoic acid CAS Name: 5,5-dimethyl-3-(2-naphthalenylthio)hexanoic acid IUPAC Name: 5,5-dimethyl-3-naphthalen-2-ylsulfanylhexanoic acid Traditional Name: 5,5-dimethyl-3-(2-naphthylthio)hexanoic acid Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(CC(=O)O)SC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)CC(CC(=O)O)SC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H22O2S/c1-18(2,3)12-16(11-17(19)20)21-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12H2,1-3H3,(H,19,20)