5-(3-ethylhexoxy)-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-(3-ethylhexoxy)-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-(3-ethylhexoxy)-4-oxo-chromene-2-carboxylic acid CAS Name: 5-(3-ethylhexoxy)-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-(3-ethylhexoxy)-4-oxochromene-2-carboxylic acid Traditional Name: 5-(3-ethylhexoxy)-4-keto-chromene-2-carboxylic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCOC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CCCC(CC)CCOC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C18H22O5/c1-3-6-12(4-2)9-10-22-14-7-5-8-15-17(14)13(19)11-16(23-15)18(20)21/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,20,21)