sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-bis(oxidanyl)trideca-8,10-dien-6-ynoate

Systemtic Name: sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-bis(oxidanyl)trideca-8,10-dien-6-ynoate Openeye Name: sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-dihydroxy-trideca-8,10-dien-6-ynoate CAS Name: sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-dihydroxytrideca-8,10-dien-6-ynoate IUPAC Name: sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-dihydroxytrideca-8,10-dien-6-ynoate Traditional Name: sodium (5S,8E,10E,12R)-13-cyclopropyl-5,12-dihydroxy-trideca-8,10-dien-6-ynoate Formula: C16H21NaO4 MolecularWeight: 300.32531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4.Na/c17-14(8-5-9-16(19)20)6-3-1-2-4-7-15(18)12-13-10-11-13;/h1-2,4,7,13-15,17-18H,5,8-12H2,(H,19,20);/q;+1/p-1/b2-1+,7-4+;/t14-,15+;/m1./s1