2-methylidenebutanedioate; tripropylazanium

Systemtic Name: 2-methylidenebutanedioate; tripropylazanium Openeye Name: 2-methylenebutanedioate; tripropylammonium CAS Name: 2-methylenebutanedioate; tripropylammonium IUPAC Name: 2-methylidenebutanedioate; tripropylazanium Traditional Name: itaconate; tripropylammonium Formula: C23H48N2O4 MolecularWeight: 416.63822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCC.CCC[NH+](CCC)CCC.C=C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CCC.CCC[NH+](CCC)CCC.C=C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C9H21N.C5H6O4/c2*1-4-7-10(8-5-2)9-6-3;1-3(5(8)9)2-4(6)7/h2*4-9H2,1-3H3;1-2H2,(H,6,7)(H,8,9)