9-(5-chloranyl-2-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(5-chloranyl-2-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-chloro-2-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-chloro-2-octoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-chloro-2-octoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-chloro-2-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C27H33ClO4 MolecularWeight: 457.00152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C27H33ClO4/c1-2-3-4-5-6-7-16-31-22-15-14-18(28)17-19(22)25-26-20(29)10-8-12-23(26)32-24-13-9-11-21(30)27(24)25/h14-15,17,25H,2-13,16H2,1H3