(3aS,6aS)-5-phenylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid

Systemtic Name: (3aS,6aS)-5-phenylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Openeye Name: (3aS,6aS)-5-phenylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid CAS Name: (3aS,6aS)-5-(phenylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid IUPAC Name: (3aS,6aS)-5-phenylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Traditional Name: (3aS,6aS)-5-(phenylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C=CC2C(=O)O)C=C1SC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2[C@H](C=CC2C(=O)O)C=C1SC3=CC=CC=C3

InChI

InChI=1S/C15H14O2S/c16-15(17)13-7-6-10-8-12(9-14(10)13)18-11-4-2-1-3-5-11/h1-8,10,13-14H,9H2,(H,16,17)/t10-,13?,14+/m1/s1