2-hexyldodecanedioic acid; 1-oxidanylpropan-2-olate

Systemtic Name: 2-hexyldodecanedioic acid; 1-oxidanylpropan-2-olate Openeye Name: 2-hexyldodecanedioic acid; 1-hydroxypropan-2-olate CAS Name: 2-hexyldodecanedioic acid; 1-hydroxy-2-propanolate IUPAC Name: 2-hexyldodecanedioic acid; 1-hydroxypropan-2-olate Traditional Name: 2-hexyldodecanedioic acid; 1-hydroxypropan-2-olate Formula: C21H41O6- MolecularWeight: 389.54664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(=O)O)C(=O)O.CC(CO)[O-]

Isomeric SMILES

CCCCCCC(CCCCCCCCCC(=O)O)C(=O)O.CC(CO)[O-]

InChI

InChI=1S/C18H34O4.C3H7O2/c1-2-3-4-10-13-16(18(21)22)14-11-8-6-5-7-9-12-15-17(19)20;1-3(5)2-4/h16H,2-15H2,1H3,(H,19,20)(H,21,22);3-4H,2H2,1H3/q;-1