9-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

Systemtic Name: 9-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione Openeye Name: 9-(3-chloro-5-methoxy-4-octoxy-phenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione CAS Name: 9-(3-chloro-5-methoxy-4-octoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione IUPAC Name: 9-(3-chloro-5-methoxy-4-octoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione Traditional Name: 9-(3-chloro-5-methoxy-4-octoxy-phenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-quinone Formula: C28H36ClNO4 MolecularWeight: 486.04274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)OC

InChI

InChI=1S/C28H36ClNO4/c1-3-4-5-6-7-8-15-34-28-19(29)16-18(17-24(28)33-2)25-26-20(11-9-13-22(26)31)30-21-12-10-14-23(32)27(21)25/h16-17,25,30H,3-15H2,1-2H3