7-bromanyl-1-(3-methoxy-4-oxidanyl-phenyl)-2-(phenylmethyl)-1,2-dihydrocyclopenta[b]chromene-3,9-dione

Systemtic Name: 7-bromanyl-1-(3-methoxy-4-oxidanyl-phenyl)-2-(phenylmethyl)-1,2-dihydrocyclopenta[b]chromene-3,9-dione Openeye Name: 2-benzyl-7-bromo-1-(4-hydroxy-3-methoxy-phenyl)-1,2-dihydrocyclopenta[b]chromene-3,9-dione CAS Name: 7-bromo-1-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethyl)-1,2-dihydrocyclopenta[b][1]benzopyran-3,9-dione IUPAC Name: 2-benzyl-7-bromo-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydrocyclopenta[b]chromene-3,9-dione Traditional Name: 2-benzyl-7-bromo-1-(4-hydroxy-3-methoxy-phenyl)-1,2-dihydrocyclopenta[b]chromene-3,9-quinone Formula: C26H19BrO5 MolecularWeight: 491.33006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=O)C3=C2C(=O)C4=C(O3)C=CC(=C4)Br)CC5=CC=CC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=O)C3=C2C(=O)C4=C(O3)C=CC(=C4)Br)CC5=CC=CC=C5)O

InChI

InChI=1S/C26H19BrO5/c1-31-21-12-15(7-9-19(21)28)22-18(11-14-5-3-2-4-6-14)25(30)26-23(22)24(29)17-13-16(27)8-10-20(17)32-26/h2-10,12-13,18,22,28H,11H2,1H3