1-[3-(3-chloranylthiophen-2-yl)carbonyl-2,2-dimethyl-3-oxidanyl-4H-chromen-6-yl]ethanone

Systemtic Name: 1-[3-(3-chloranylthiophen-2-yl)carbonyl-2,2-dimethyl-3-oxidanyl-4H-chromen-6-yl]ethanone Openeye Name: 1-[3-(3-chlorothiophene-2-carbonyl)-3-hydroxy-2,2-dimethyl-chroman-6-yl]ethanone CAS Name: 1-[3-[(3-chloro-2-thiophenyl)-oxomethyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone IUPAC Name: 1-[3-(3-chlorothiophene-2-carbonyl)-3-hydroxy-2,2-dimethyl-4H-chromen-6-yl]ethanone Traditional Name: 1-[3-(3-chlorothiophene-2-carbonyl)-3-hydroxy-2,2-dimethyl-chroman-6-yl]ethanone Formula: C18H17ClO4S MolecularWeight: 364.84318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2)(C(=O)C3=C(C=CS3)Cl)O)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC(C(C2)(C(=O)C3=C(C=CS3)Cl)O)(C)C

InChI

InChI=1S/C18H17ClO4S/c1-10(20)11-4-5-14-12(8-11)9-18(22,17(2,3)23-14)16(21)15-13(19)6-7-24-15/h4-8,22H,9H2,1-3H3