trisodium (E)-3-[3-[(4-methoxycarbonylcyclohexyl)methoxy]-4-oxidanidyl-phenyl]prop-2-enoate

Systemtic Name: trisodium (E)-3-[3-[(4-methoxycarbonylcyclohexyl)methoxy]-4-oxidanidyl-phenyl]prop-2-enoate Openeye Name: trisodium (E)-3-[3-[(4-methoxycarbonylcyclohexyl)methoxy]-4-oxido-phenyl]prop-2-enoate CAS Name: trisodium (E)-3-[3-[(4-methoxycarbonylcyclohexyl)methoxy]-4-oxidophenyl]-2-propenoate IUPAC Name: trisodium (E)-3-[3-[(4-methoxycarbonylcyclohexyl)methoxy]-4-oxidophenyl]prop-2-enoate Traditional Name: trisodium (E)-3-[3-[(4-carbomethoxycyclohexyl)methoxy]-4-oxido-phenyl]acrylate Formula: C18H20Na3O6+ MolecularWeight: 401.31711

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)COC2=C(C=CC(=C2)C=CC(=O)[O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC(=O)C1CCC(CC1)COC2=C(C=CC(=C2)/C=C/C(=O)[O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H22O6.3Na/c1-23-18(22)14-6-2-13(3-7-14)11-24-16-10-12(4-8-15(16)19)5-9-17(20)21;;;/h4-5,8-10,13-14,19H,2-3,6-7,11H2,1H3,(H,20,21);;;/q;3*+1/p-2/b9-5+;;;