6-[5-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-2,4-bis(oxidanyl)phenyl]carbonylcyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-[5-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-2,4-bis(oxidanyl)phenyl]carbonylcyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-[5-(3-ethoxy-3-oxo-propyl)-2,4-dihydroxy-3-methyl-benzoyl]cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-[[5-(3-ethoxy-3-oxopropyl)-2,4-dihydroxy-3-methylphenyl]-oxomethyl]-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-[5-(3-ethoxy-3-oxopropyl)-2,4-dihydroxy-3-methylbenzoyl]cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-[5-(3-ethoxy-3-keto-propyl)-2,4-dihydroxy-3-methyl-benzoyl]cyclohexa-1,3-diene-1-carboxylic acid Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C(=C(C(=C1)C(=O)C2CC=CC=C2C(=O)O)O)C)O

Isomeric SMILES

CCOC(=O)CCC1=C(C(=C(C(=C1)C(=O)C2CC=CC=C2C(=O)O)O)C)O

InChI

InChI=1S/C20H22O7/c1-3-27-16(21)9-8-12-10-15(18(23)11(2)17(12)22)19(24)13-6-4-5-7-14(13)20(25)26/h4-5,7,10,13,22-23H,3,6,8-9H2,1-2H3,(H,25,26)