disodium 2-methoxy-4-[(E)-3-[(4-methoxycarbonyl-1-oxidanyl-cyclohexyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenolate

Systemtic Name: disodium 2-methoxy-4-[(E)-3-[(4-methoxycarbonyl-1-oxidanyl-cyclohexyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: disodium 4-[(E)-3-[(1-hydroxy-4-methoxycarbonyl-cyclohexyl)methylamino]-3-oxo-prop-1-enyl]-2-methoxy-phenolate CAS Name: disodium 4-[(E)-3-[(1-hydroxy-4-methoxycarbonylcyclohexyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenolate IUPAC Name: disodium 4-[(E)-3-[(1-hydroxy-4-methoxycarbonylcyclohexyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenolate Traditional Name: disodium 4-[(E)-3-[(4-carbomethoxy-1-hydroxy-cyclohexyl)methylamino]-3-keto-prop-1-enyl]-2-methoxy-phenolate Formula: C19H24NNa2O6+ MolecularWeight: 408.3765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC2(CCC(CC2)C(=O)OC)O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC2(CCC(CC2)C(=O)OC)O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H25NO6.2Na/c1-25-16-11-13(3-5-15(16)21)4-6-17(22)20-12-19(24)9-7-14(8-10-19)18(23)26-2;;/h3-6,11,14,21,24H,7-10,12H2,1-2H3,(H,20,22);;/q;2*+1/p-1/b6-4+;;