2-methylidenebutanedioate; quinolin-1-ium

Systemtic Name: 2-methylidenebutanedioate; quinolin-1-ium Openeye Name: 2-methylenebutanedioate; quinolin-1-ium CAS Name: 2-methylenebutanedioate; quinolin-1-ium IUPAC Name: 2-methylidenebutanedioate; quinolin-1-ium Traditional Name: itaconate; quinolin-1-ium Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

C=C(CC(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/2C9H7N.C5H6O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-3(5(8)9)2-4(6)7/h2*1-7H;1-2H2,(H,6,7)(H,8,9)