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

Systemtic Name: 8-[[[1,1-bis(oxidanylidene)thiolan-3-yl]azaniumyl]methyl]-3,4-dimethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[[(1,1-dioxothiolan-3-yl)ammonio]methyl]-3,4-dimethyl-2-oxo-chromen-7-olate CAS Name: 8-[[(1,1-dioxo-3-thiolanyl)ammonio]methyl]-3,4-dimethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[(1,1-dioxothiolan-3-yl)azaniumyl]methyl]-3,4-dimethyl-2-oxochromen-7-olate Traditional Name: 8-[[(1,1-diketothiolan-3-yl)ammonio]methyl]-2-keto-3,4-dimethyl-chromen-7-olate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CCS(=O)(=O)C3)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CCS(=O)(=O)C3)[O-])C

InChI

InChI=1S/C16H19NO5S/c1-9-10(2)16(19)22-15-12(9)3-4-14(18)13(15)7-17-11-5-6-23(20,21)8-11/h3-4,11,17-18H,5-8H2,1-2H3