3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)-1-prop-2-ynoxy-cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)-1-prop-2-ynoxy-cyclohexane-1-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-prop-2-ynoxy-cyclohexanecarboxylic acid CAS Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-prop-2-ynoxy-1-cyclohexanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-prop-2-ynoxycyclohexane-1-carboxylic acid Traditional Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-1-propargyloxy-cyclohexanecarboxylic acid Formula: C19H20O8 MolecularWeight: 376.3573

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1(CC(C(C(C1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)C(=O)O

Isomeric SMILES

C#CCOC1(CC(C(C(C1)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)C(=O)O

InChI

InChI=1S/C19H20O8/c1-2-9-26-19(18(24)25)10-14(21)17(23)15(11-19)27-16(22)8-5-12-3-6-13(20)7-4-12/h1,3-8,14-15,17,20-21,23H,9-11H2,(H,24,25)/b8-5+