3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylate IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromene-2-carboxylate Formula: C21H21O7- MolecularWeight: 385.38724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C21H22O7/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/h4-5,9,11,16,23H,2-3,6-8,10H2,1H3,(H,24,25)/p-1