(E)-but-2-enedioic acid; 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium

Systemtic Name: (E)-but-2-enedioic acid; 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium Openeye Name: fumaric acid; 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium CAS Name: (E)-2-butenedioic acid; 9-(4-hexoxyphenyl)-10-methylacridin-10-ium IUPAC Name: (E)-but-2-enedioic acid; 9-(4-hexoxyphenyl)-10-methylacridin-10-ium Traditional Name: fumaric acid; 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium Formula: C30H32NO5+ MolecularWeight: 486.57878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H28NO.C4H4O4/c1-3-4-5-10-19-28-21-17-15-20(16-18-21)26-22-11-6-8-13-24(22)27(2)25-14-9-7-12-23(25)26;5-3(6)1-2-4(7)8/h6-9,11-18H,3-5,10,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+