2-[5,5-bis(methoxycarbonyl)-2-oxidanylidene-1,4,6,6a-tetrahydropentalen-1-yl]ethanoic acid

Systemtic Name: 2-[5,5-bis(methoxycarbonyl)-2-oxidanylidene-1,4,6,6a-tetrahydropentalen-1-yl]ethanoic acid Openeye Name: 2-[5,5-bis(methoxycarbonyl)-2-oxo-1,4,6,6a-tetrahydropentalen-1-yl]acetic acid CAS Name: 2-[5,5-bis(methoxycarbonyl)-2-oxo-1,4,6,6a-tetrahydropentalen-1-yl]acetic acid IUPAC Name: 2-[5,5-bis(methoxycarbonyl)-2-oxo-1,4,6,6a-tetrahydropentalen-1-yl]acetic acid Traditional Name: 2-(5,5-dicarbomethoxy-2-keto-1,4,6,6a-tetrahydropentalen-1-yl)acetic acid Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C(C(=O)C=C2C1)CC(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC2C(C(=O)C=C2C1)CC(=O)O)C(=O)OC

InChI

InChI=1S/C14H16O7/c1-20-12(18)14(13(19)21-2)5-7-3-10(15)8(4-11(16)17)9(7)6-14/h3,8-9H,4-6H2,1-2H3,(H,16,17)