methyl 3-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-1,4-bis(oxidanylidene)naphthalene-2-carboxylate

Systemtic Name: methyl 3-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-1,4-bis(oxidanylidene)naphthalene-2-carboxylate Openeye Name: methyl 3-[(E)-3-hydroxy-3-methyl-but-1-enyl]-1,4-dioxo-naphthalene-2-carboxylate CAS Name: 3-[(E)-3-hydroxy-3-methylbut-1-enyl]-1,4-dioxo-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-hydroxy-3-methylbut-1-enyl]-1,4-dioxonaphthalene-2-carboxylate Traditional Name: 3-[(E)-3-hydroxy-3-methyl-but-1-enyl]-1,4-diketo-naphthalene-2-carboxylic acid methyl ester Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)OC)O

Isomeric SMILES

CC(C)(/C=C/C1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)OC)O

InChI

InChI=1S/C17H16O5/c1-17(2,21)9-8-12-13(16(20)22-3)15(19)11-7-5-4-6-10(11)14(12)18/h4-9,21H,1-3H3/b9-8+