7-[3-(3-phenylpropylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(3-phenylpropylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(3-phenylpropylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(3-phenylpropylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(3-phenylpropylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(3-phenylpropylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C23H34O3S MolecularWeight: 390.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCCC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCCC3=CC=CC=C3

InChI

InChI=1S/C23H34O3S/c24-23(25)13-7-2-1-6-12-19-20(22-15-14-21(19)26-22)17-27-16-8-11-18-9-4-3-5-10-18/h3-5,9-10,19-22H,1-2,6-8,11-17H2,(H,24,25)