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

Systemtic Name: 9-(3-methoxy-4-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-methoxy-4-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-methoxy-4-octoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-methoxy-4-octoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-methoxy-4-octoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O5/c1-3-4-5-6-7-8-17-32-22-16-15-19(18-25(22)31-2)26-27-20(29)11-9-13-23(27)33-24-14-10-12-21(30)28(24)26/h15-16,18,26H,3-14,17H2,1-2H3