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

Systemtic Name: 9-(3-bromanyl-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-4-propargyloxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrO4/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/h1,9-10,12,20H,3-8,11H2