9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-hydroxy-4-oxo-but-2-enoate CAS Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium; 4-hydroxy-4-oxo-2-butenoate IUPAC Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium; 4-hydroxy-4-oxobut-2-enoate Traditional Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-hydroxy-4-keto-but-2-enoate Formula: C30H31NO5 MolecularWeight: 485.57084

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(=CC(=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;/p-1