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5-(phenylmethylsulfanyl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid

5-(phenylmethylsulfanyl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Systemtic Name:5-(phenylmethylsulfanyl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Openeye Name:5-benzylsulfanylnorbornane-2,3-dicarboxylic acid
CAS Name:5-(phenylmethylthio)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC Name:5-benzylsulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Traditional Name:5-(benzylthio)norbornane-2,3-dicarboxylic acid
Formula: C16H18O4S
MolecularWeight: 306.37672
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1C(C2C(=O)O)C(=O)O)SCC3=CC=CC=C3


Isomeric SMILES

C1C2CC(C1C(C2C(=O)O)C(=O)O)SCC3=CC=CC=C3


InChI

InChI=1S/C16H18O4S/c17-15(18)13-10-6-11(14(13)16(19)20)12(7-10)21-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2,(H,17,18)(H,19,20)


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