2-[2-[(5-bromanyl-6-methoxy-naphthalen-2-yl)methyl]-3-oxidanylidene-cyclohexen-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(5-bromanyl-6-methoxy-naphthalen-2-yl)methyl]-3-oxidanylidene-cyclohexen-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-bromo-6-methoxy-2-naphthyl)methyl]-3-oxo-cyclohexen-1-yl]acetic acid CAS Name: 2-[2-[(5-bromo-6-methoxy-2-naphthalenyl)methyl]-3-oxo-1-cyclohexenyl]acetic acid IUPAC Name: 2-[2-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-3-oxocyclohexen-1-yl]acetic acid Traditional Name: 2-[2-[(5-bromo-6-methoxy-2-naphthyl)methyl]-3-keto-cyclohexen-1-yl]acetic acid Formula: C20H19BrO4 MolecularWeight: 403.26646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)CC3=C(CCCC3=O)CC(=O)O)Br

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)CC3=C(CCCC3=O)CC(=O)O)Br

InChI

InChI=1S/C20H19BrO4/c1-25-18-8-6-14-9-12(5-7-15(14)20(18)21)10-16-13(11-19(23)24)3-2-4-17(16)22/h5-9H,2-4,10-11H2,1H3,(H,23,24)