sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-bis(oxidanyl)dodeca-7,9-dien-5-ynoate

Systemtic Name: sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-bis(oxidanyl)dodeca-7,9-dien-5-ynoate Openeye Name: sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxy-dodeca-7,9-dien-5-ynoate CAS Name: sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxydodeca-7,9-dien-5-ynoate IUPAC Name: sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxydodeca-7,9-dien-5-ynoate Traditional Name: sodium (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxy-dodeca-7,9-dien-5-ynoate Formula: C15H19NaO4 MolecularWeight: 286.29873

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C=CC=CC#CC(CCC(=O)[O-])O)O.[Na+]

Isomeric SMILES

C1CC1C[C@H](/C=C/C=C/C#C[C@H](CCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C15H20O4.Na/c16-13(9-10-15(18)19)5-3-1-2-4-6-14(17)11-12-7-8-12;/h1-2,4,6,12-14,16-17H,7-11H2,(H,18,19);/q;+1/p-1/b2-1+,6-4+;/t13-,14+;/m1./s1