sodium 2-[(1S,3S)-1-oxidanyl-3-[(E)-3-oxidanylidene-7-phenyl-hept-1-enyl]cyclohexyl]ethanoate

Systemtic Name: sodium 2-[(1S,3S)-1-oxidanyl-3-[(E)-3-oxidanylidene-7-phenyl-hept-1-enyl]cyclohexyl]ethanoate Openeye Name: sodium 2-[(1S,3S)-1-hydroxy-3-[(E)-3-oxo-7-phenyl-hept-1-enyl]cyclohexyl]acetate CAS Name: sodium 2-[(1S,3S)-1-hydroxy-3-[(E)-3-oxo-7-phenylhept-1-enyl]cyclohexyl]acetate IUPAC Name: sodium 2-[(1S,3S)-1-hydroxy-3-[(E)-3-oxo-7-phenylhept-1-enyl]cyclohexyl]acetate Traditional Name: sodium 2-[(1S,3S)-1-hydroxy-3-[(E)-3-keto-7-phenyl-hept-1-enyl]cyclohexyl]acetate Formula: C21H27NaO4 MolecularWeight: 366.42645

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(CC(=O)[O-])O)C=CC(=O)CCCCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1C[C@@H](C[C@@](C1)(CC(=O)[O-])O)/C=C/C(=O)CCCCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C21H28O4.Na/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24;/h1-3,7-8,12-13,18,25H,4-6,9-11,14-16H2,(H,23,24);/q;+1/p-1/b13-12+;/t18-,21+;/m1./s1