6-chloranyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one Openeye Name: 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethoxy]-4-methyl-coumarin Formula: C21H17ClO6 MolecularWeight: 400.80908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H17ClO6/c1-12-7-21(24)28-18-10-19(15(22)9-14(12)18)27-11-16(23)13-3-4-17-20(8-13)26-6-2-5-25-17/h3-4,7-10H,2,5-6,11H2,1H3