sodium (5S,8E,10E,12R)-14-methyl-5,12-bis(oxidanyl)pentadeca-8,10-dien-6-ynoate

Systemtic Name: sodium (5S,8E,10E,12R)-14-methyl-5,12-bis(oxidanyl)pentadeca-8,10-dien-6-ynoate Openeye Name: sodium (5S,8E,10E,12R)-5,12-dihydroxy-14-methyl-pentadeca-8,10-dien-6-ynoate CAS Name: sodium (5S,8E,10E,12R)-5,12-dihydroxy-14-methylpentadeca-8,10-dien-6-ynoate IUPAC Name: sodium (5S,8E,10E,12R)-5,12-dihydroxy-14-methylpentadeca-8,10-dien-6-ynoate Traditional Name: sodium (5S,8E,10E,12R)-5,12-dihydroxy-14-methyl-pentadeca-8,10-dien-6-ynoate Formula: C16H23NaO4 MolecularWeight: 302.34119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4.Na/c1-13(2)12-15(18)9-6-4-3-5-8-14(17)10-7-11-16(19)20;/h3-4,6,9,13-15,17-18H,7,10-12H2,1-2H3,(H,19,20);/q;+1/p-1/b4-3+,9-6+;/t14-,15+;/m1./s1