calcium 2,2-bis(2-ethylhexyl)butanedioate

Systemtic Name: calcium 2,2-bis(2-ethylhexyl)butanedioate Openeye Name: calcium 2,2-bis(2-ethylhexyl)butanedioate CAS Name: calcium 2,2-bis(2-ethylhexyl)butanedioate IUPAC Name: calcium 2,2-bis(2-ethylhexyl)butanedioate Traditional Name: calcium 2,2-bis(2-ethylhexyl)succinate Formula: C20H36CaO4 MolecularWeight: 380.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C20H38O4.Ca/c1-5-9-11-16(7-3)13-20(19(23)24,15-18(21)22)14-17(8-4)12-10-6-2;/h16-17H,5-15H2,1-4H3,(H,21,22)(H,23,24);/q;+2/p-2