sodium (2E)-2-[(3S)-3-[(Z)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclohexylidene]ethanoate

Systemtic Name: sodium (2E)-2-[(3S)-3-[(Z)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclohexylidene]ethanoate Openeye Name: sodium (2E)-2-[(3S)-3-[(Z)-3-hydroxy-7-phenyl-hept-1-enyl]cyclohexylidene]acetate CAS Name: sodium (2E)-2-[(3S)-3-[(Z)-3-hydroxy-7-phenylhept-1-enyl]cyclohexylidene]acetate IUPAC Name: sodium (2E)-2-[(3S)-3-[(Z)-3-hydroxy-7-phenylhept-1-enyl]cyclohexylidene]acetate Traditional Name: sodium (2E)-2-[(3S)-3-[(Z)-3-hydroxy-7-phenyl-hept-1-enyl]cyclohexylidene]acetate Formula: C21H27NaO3 MolecularWeight: 350.42705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13-,19-16+;/t18-,20?;/m1./s1