(E)-3-[3-[(4-methoxycarbonyl-1-oxidanyl-cyclohexyl)methoxy]-4-oxidanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(4-methoxycarbonyl-1-oxidanyl-cyclohexyl)methoxy]-4-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-hydroxy-3-[(1-hydroxy-4-methoxycarbonyl-cyclohexyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-hydroxy-3-[(1-hydroxy-4-methoxycarbonylcyclohexyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-hydroxy-3-[(1-hydroxy-4-methoxycarbonylcyclohexyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(4-carbomethoxy-1-hydroxy-cyclohexyl)methoxy]-4-hydroxy-phenyl]acrylic acid Formula: C18H22O7 MolecularWeight: 350.36308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)(COC2=C(C=CC(=C2)C=CC(=O)O)O)O

Isomeric SMILES

COC(=O)C1CCC(CC1)(COC2=C(C=CC(=C2)/C=C/C(=O)O)O)O

InChI

InChI=1S/C18H22O7/c1-24-17(22)13-6-8-18(23,9-7-13)11-25-15-10-12(2-4-14(15)19)3-5-16(20)21/h2-5,10,13,19,23H,6-9,11H2,1H3,(H,20,21)/b5-3+