2-[[(1S,2R,3S,4R)-2-(6-methoxy-6-oxidanylidene-hexanoyl)-3-bicyclo[2.2.1]heptanyl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(1S,2R,3S,4R)-2-(6-methoxy-6-oxidanylidene-hexanoyl)-3-bicyclo[2.2.1]heptanyl]sulfanyl]ethanoic acid Openeye Name: 2-[(1R,2S,3R,4S)-3-(6-methoxy-6-oxo-hexanoyl)norbornan-2-yl]sulfanylacetic acid CAS Name: 2-[[(1S,2R,3S,4R)-2-(6-methoxy-1,6-dioxohexyl)-3-bicyclo[2.2.1]heptanyl]thio]acetic acid IUPAC Name: 2-[[(1S,2R,3S,4R)-2-(6-methoxy-6-oxohexanoyl)-3-bicyclo[2.2.1]heptanyl]sulfanyl]acetic acid Traditional Name: 2-[[(1R,2S,3R,4S)-3-(6-keto-6-methoxy-hexanoyl)norbornan-2-yl]thio]acetic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)C1C2CCC(C2)C1SCC(=O)O

Isomeric SMILES

COC(=O)CCCCC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1SCC(=O)O

InChI

InChI=1S/C16H24O5S/c1-21-14(20)5-3-2-4-12(17)15-10-6-7-11(8-10)16(15)22-9-13(18)19/h10-11,15-16H,2-9H2,1H3,(H,18,19)/t10-,11+,15+,16-/m0/s1