acridine; (E)-but-2-enedioic acid

Systemtic Name: acridine; (E)-but-2-enedioic acid Openeye Name: acridine; fumaric acid CAS Name: acridine; (E)-2-butenedioic acid IUPAC Name: acridine; (E)-but-2-enedioic acid Traditional Name: acridine; fumaric acid Formula: C95H67N7O4 MolecularWeight: 1370.59298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/7C13H9N.C4H4O4/c7*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;5-3(6)1-2-4(7)8/h7*1-9H;1-2H,(H,5,6)(H,7,8)/b;;;;;;;2-1+