disodium (E)-19-decylicos-9-enedioate

Systemtic Name: disodium (E)-19-decylicos-9-enedioate Openeye Name: disodium (E)-19-decylicos-9-enedioate CAS Name: disodium (E)-19-decyl-9-eicosenedioate IUPAC Name: disodium (E)-19-decylicos-9-enedioate Traditional Name: disodium (E)-19-decyleicos-9-enedioate Formula: C30H54Na2O4 MolecularWeight: 524.7269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H56O4.2Na/c1-2-3-4-5-6-16-19-22-25-28(30(33)34)26-23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-27-29(31)32;;/h7,9,28H,2-6,8,10-27H2,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2/b9-7+;;