(1S,3S)-1-oxidanyl-3-[(E)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3S)-1-oxidanyl-3-[(E)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-7-phenyl-hept-1-enyl]cyclohexanecarboxylic acid CAS Name: (1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-7-phenylhept-1-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-7-phenylhept-1-enyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-7-phenyl-hept-1-enyl]cyclohexanecarboxylic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C(=O)O)O)C=CC(CCCCC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](C[C@@](C1)(C(=O)O)O)/C=C/C(CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C20H28O4/c21-18(11-5-4-9-16-7-2-1-3-8-16)13-12-17-10-6-14-20(24,15-17)19(22)23/h1-3,7-8,12-13,17-18,21,24H,4-6,9-11,14-15H2,(H,22,23)/b13-12+/t17-,18?,20+/m1/s1