disodium 4-azanyl-5-[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]oxy-5-oxidanylidene-pentanoate

Systemtic Name: disodium 4-azanyl-5-[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]oxy-5-oxidanylidene-pentanoate Openeye Name: disodium 4-amino-5-[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]oxy-5-oxo-pentanoate CAS Name: disodium 4-amino-5-oxo-5-[(2E,4E,6E,8E,10E,12E)-1-oxodocosa-2,4,6,8,10,12-hexaenoxy]pentanoate IUPAC Name: disodium 4-amino-5-[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]oxy-5-oxopentanoate Traditional Name: disodium 4-amino-5-[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]oxy-5-keto-valerate Formula: C27H38NNa2O5+ MolecularWeight: 502.57386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC(=O)C(CCC(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC(=O)C(CCC(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C27H39NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)33-27(32)24(28)22-23-25(29)30;;/h10-21,24H,2-9,22-23,28H2,1H3,(H,29,30);;/q;2*+1/p-1/b11-10+,13-12+,15-14+,17-16+,19-18+,21-20+;;