3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-keto-chromene-2-carboxylic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)O)C3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)O)C3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C21H18O7/c1-2-11-8-13-16(10-14(11)22)28-20(21(24)25)18(19(13)23)12-4-5-15-17(9-12)27-7-3-6-26-15/h4-5,8-10,22H,2-3,6-7H2,1H3,(H,24,25)