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

Systemtic Name: 9-(3-chloranyl-4-prop-2-enoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-allyloxy-3-chloro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-chloro-4-prop-2-enoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-chloro-4-prop-2-enoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-allyloxy-3-chloro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C22H21ClO4 MolecularWeight: 384.85274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl

InChI

InChI=1S/C22H21ClO4/c1-2-11-26-17-10-9-13(12-14(17)23)20-21-15(24)5-3-7-18(21)27-19-8-4-6-16(25)22(19)20/h2,9-10,12,20H,1,3-8,11H2