calcium 2-hexyldodecanedioate

Systemtic Name: calcium 2-hexyldodecanedioate Openeye Name: calcium 2-hexyldodecanedioate CAS Name: calcium 2-hexyldodecanedioate IUPAC Name: calcium 2-hexyldodecanedioate Traditional Name: calcium 2-hexyldodecanedioate Formula: C18H32CaO4 MolecularWeight: 352.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].[Ca+2]

InChI

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