7-[3-(phenylsulfanylmethyl)-2-bicyclo[2.2.1]heptanyl]heptanoic acid

Systemtic Name: 7-[3-(phenylsulfanylmethyl)-2-bicyclo[2.2.1]heptanyl]heptanoic acid Openeye Name: 7-[3-(phenylsulfanylmethyl)norbornan-2-yl]heptanoic acid CAS Name: 7-[3-[(phenylthio)methyl]-2-bicyclo[2.2.1]heptanyl]heptanoic acid IUPAC Name: 7-[3-(phenylsulfanylmethyl)-2-bicyclo[2.2.1]heptanyl]heptanoic acid Traditional Name: 7-[3-[(phenylthio)methyl]norbornan-2-yl]enanthic acid Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2CSC3=CC=CC=C3)CCCCCCC(=O)O

Isomeric SMILES

C1CC2CC1C(C2CSC3=CC=CC=C3)CCCCCCC(=O)O

InChI

InChI=1S/C21H30O2S/c22-21(23)11-7-2-1-6-10-19-16-12-13-17(14-16)20(19)15-24-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-20H,1-2,6-7,10-15H2,(H,22,23)