2-bromanyl-5,6-dimethyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-bromanyl-5,6-dimethyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-bromo-3-[(2-hydroxy-4-oxo-chromen-3-yl)methyl]-5,6-dimethyl-1,4-benzoquinone CAS Name: 2-bromo-3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-5,6-dimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-bromo-3-[(2-hydroxy-4-oxochromen-3-yl)methyl]-5,6-dimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-bromo-3-[(2-hydroxy-4-keto-chromen-3-yl)methyl]-5,6-dimethyl-p-benzoquinone Formula: C18H13BrO5 MolecularWeight: 389.19682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)CC2=C(OC3=CC=CC=C3C2=O)O)Br)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)CC2=C(OC3=CC=CC=C3C2=O)O)Br)C

InChI

InChI=1S/C18H13BrO5/c1-8-9(2)16(21)14(19)11(15(8)20)7-12-17(22)10-5-3-4-6-13(10)24-18(12)23/h3-6,23H,7H2,1-2H3