1-[(1-carboxycyclohexa-2,4-dien-1-yl)methoxymethyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[(1-carboxycyclohexa-2,4-dien-1-yl)methoxymethyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[(1-carboxycyclohexa-2,4-dien-1-yl)methoxymethyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[(1-carboxy-1-cyclohexa-2,4-dienyl)methoxymethyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[(1-carboxycyclohexa-2,4-dien-1-yl)methoxymethyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[(1-carboxycyclohexa-2,4-dien-1-yl)methoxymethyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(COCC2(CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C=CC=CC1(COCC2(CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O5/c17-13(18)15(7-3-1-4-8-15)11-21-12-16(14(19)20)9-5-2-6-10-16/h1-7,9H,8,10-12H2,(H,17,18)(H,19,20)