calcium; (E)-but-2-enedioate; dodecane

Systemtic Name: calcium; (E)-but-2-enedioate; dodecane Openeye Name: calcium; (E)-but-2-enedioate; dodecane CAS Name: calcium; (E)-2-butenedioate; dodecane IUPAC Name: calcium; (E)-but-2-enedioate; dodecane Traditional Name: calcium dodecane fumarate Formula: C28H52CaO4-2 MolecularWeight: 492.78808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].C(=CC(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].C(=C/C(=O)[O-])\C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H25.C4H4O4.Ca/c2*1-3-5-7-9-11-12-10-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-12H2,2H3;1-2H,(H,5,6)(H,7,8);/q2*-1;;+2/p-2/b;;2-1+;