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

Systemtic Name: 9-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-allyloxy-3-bromo-5-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-allyloxy-3-bromo-5-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C23H23BrO5 MolecularWeight: 459.32972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC=C

InChI

InChI=1S/C23H23BrO5/c1-3-10-28-23-14(24)11-13(12-19(23)27-2)20-21-15(25)6-4-8-17(21)29-18-9-5-7-16(26)22(18)20/h3,11-12,20H,1,4-10H2,2H3