disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylcyclohexyl)-3-oxidanylidene-prop-1-enyl]phenolate

Systemtic Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylcyclohexyl)-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylcyclohexyl)-3-oxo-prop-1-enyl]phenolate CAS Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylcyclohexyl)-3-oxoprop-1-enyl]phenolate IUPAC Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylcyclohexyl)-3-oxoprop-1-enyl]phenolate Traditional Name: disodium 4-[(E)-3-(4-carbomethoxycyclohexyl)-3-keto-prop-1-enyl]-2-methoxy-phenolate Formula: C18H21Na2O5+ MolecularWeight: 363.33588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2CCC(CC2)C(=O)OC)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2CCC(CC2)C(=O)OC)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H22O5.2Na/c1-22-17-11-12(4-10-16(17)20)3-9-15(19)13-5-7-14(8-6-13)18(21)23-2;;/h3-4,9-11,13-14,20H,5-8H2,1-2H3;;/q;2*+1/p-1/b9-3+;;