6-chloranyl-4-methyl-8-[[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-4-methyl-8-[[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-methyl-8-[[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]ammonio]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-methyl-8-[[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-methyl-8-[[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azaniumyl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]ammonio]methyl]-2-keto-4-methyl-chromen-7-olate Formula: C16H18ClNO5S MolecularWeight: 371.83582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3(CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+][C@@]3(CCS(=O)(=O)C3)C

InChI

InChI=1S/C16H18ClNO5S/c1-9-5-13(19)23-15-10(9)6-12(17)14(20)11(15)7-18-16(2)3-4-24(21,22)8-16/h5-6,18,20H,3-4,7-8H2,1-2H3/t16-/m1/s1