5-[5-(3-chloranylphenoxy)pentoxy]-4-oxidanylidene-6-[(E)-prop-1-enyl]pyran-2-carboxylic acid

Systemtic Name: 5-[5-(3-chloranylphenoxy)pentoxy]-4-oxidanylidene-6-[(E)-prop-1-enyl]pyran-2-carboxylic acid Openeye Name: 5-[5-(3-chlorophenoxy)pentoxy]-4-oxo-6-[(E)-prop-1-enyl]pyran-2-carboxylic acid CAS Name: 5-[5-(3-chlorophenoxy)pentoxy]-4-oxo-6-[(E)-prop-1-enyl]-2-pyrancarboxylic acid IUPAC Name: 5-[5-(3-chlorophenoxy)pentoxy]-4-oxo-6-[(E)-prop-1-enyl]pyran-2-carboxylic acid Traditional Name: 5-[5-(3-chlorophenoxy)pentoxy]-4-keto-6-[(E)-prop-1-enyl]pyran-2-carboxylic acid Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C(=O)C=C(O1)C(=O)O)OCCCCCOC2=CC(=CC=C2)Cl

Isomeric SMILES

C/C=C/C1=C(C(=O)C=C(O1)C(=O)O)OCCCCCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H21ClO6/c1-2-7-17-19(16(22)13-18(27-17)20(23)24)26-11-5-3-4-10-25-15-9-6-8-14(21)12-15/h2,6-9,12-13H,3-5,10-11H2,1H3,(H,23,24)/b7-2+