sodium (E)-2-decyl-4-oxidanylidene-henicos-12-enoate

Systemtic Name: sodium (E)-2-decyl-4-oxidanylidene-henicos-12-enoate Openeye Name: sodium (E)-2-decyl-4-oxo-henicos-12-enoate CAS Name: sodium (E)-2-decyl-4-oxo-12-heneicosenoate IUPAC Name: sodium (E)-2-decyl-4-oxohenicos-12-enoate Traditional Name: sodium (E)-2-decyl-4-keto-heneicos-12-enoate Formula: C31H57NaO3 MolecularWeight: 500.77225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H58O3.Na/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30(32)28-29(31(33)34)26-24-22-20-12-10-8-6-4-2;/h15-16,29H,3-14,17-28H2,1-2H3,(H,33,34);/q;+1/p-1/b16-15+;