2-(2-carboxyethyl)-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromene-2-carboxylic acid

Systemtic Name: 2-(2-carboxyethyl)-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromene-2-carboxylic acid Openeye Name: 2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-chromane-2-carboxylic acid CAS Name: 2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-3H-chromene-2-carboxylic acid Traditional Name: 2-(2-carboxyethyl)-7-hydroxy-4-keto-8-propyl-chroman-2-carboxylic acid Formula: C16H18O7 MolecularWeight: 322.30992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C16H18O7/c1-2-3-9-11(17)5-4-10-12(18)8-16(15(21)22,23-14(9)10)7-6-13(19)20/h4-5,17H,2-3,6-8H2,1H3,(H,19,20)(H,21,22)