6-butan-2-yl-3-(carboxymethyl)-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 6-butan-2-yl-3-(carboxymethyl)-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 3-(carboxymethyl)-4-oxo-6-sec-butyl-chromene-2-carboxylic acid CAS Name: 6-butan-2-yl-3-(carboxymethyl)-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 6-butan-2-yl-3-(carboxymethyl)-4-oxochromene-2-carboxylic acid Traditional Name: 3-(carboxymethyl)-4-keto-6-sec-butyl-chromene-2-carboxylic acid Formula: C16H16O6 MolecularWeight: 304.29464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=C(C2=O)CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=C(C2=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H16O6/c1-3-8(2)9-4-5-12-10(6-9)14(19)11(7-13(17)18)15(22-12)16(20)21/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,20,21)