9-oxidanyl-4,6-bis(oxidanylidene)-13-prop-2-enyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid

Systemtic Name: 9-oxidanyl-4,6-bis(oxidanylidene)-13-prop-2-enyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid Openeye Name: 13-allyl-9-hydroxy-4,6-dioxo-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid CAS Name: 9-hydroxy-4,6-dioxo-13-prop-2-enyl-11H-[1]benzopyrano[7,6-c][2]benzoxepin-2-carboxylic acid IUPAC Name: 9-hydroxy-4,6-dioxo-13-prop-2-enyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid Traditional Name: 13-allyl-9-hydroxy-4,6-diketo-11H-chromeno[7,6-c][2]benzoxepin-2-carboxylic acid Formula: C21H14O7 MolecularWeight: 378.33166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C2C(=CC3=C1OCC4=C(C3=O)C=CC(=C4)O)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

C=CCC1=C2C(=CC3=C1OCC4=C(C3=O)C=CC(=C4)O)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C21H14O7/c1-2-3-13-19-15(7-14-16(23)8-17(21(25)26)28-20(13)14)18(24)12-5-4-11(22)6-10(12)9-27-19/h2,4-8,22H,1,3,9H2,(H,25,26)