[4,5-diacetyloxy-6-(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyl-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyl-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(3-chloro-4-methyl-2-oxo-chromen-7-yl)sulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl)thio]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-(3-chloro-4-methyl-2-oxochromen-7-yl)sulfanylthian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[(3-chloro-2-keto-4-methyl-chromen-7-yl)thio]tetrahydrothiopyran-3-yl] ester Formula: C21H21ClO8S2 MolecularWeight: 500.96964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)OC(=O)C)OC(=O)C)OC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)OC(=O)C)OC(=O)C)OC(=O)C)Cl

InChI

InChI=1S/C21H21ClO8S2/c1-9-14-6-5-13(7-15(14)30-20(26)17(9)22)32-21-19(29-12(4)25)18(28-11(3)24)16(8-31-21)27-10(2)23/h5-7,16,18-19,21H,8H2,1-4H3