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

Systemtic Name: 8-[[[1,1-bis(oxidanylidene)thiolan-3-yl]azaniumyl]methyl]-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 8-[[(1,1-dioxothiolan-3-yl)ammonio]methyl]-2-oxo-4-propyl-chromen-7-olate CAS Name: 8-[[(1,1-dioxo-3-thiolanyl)ammonio]methyl]-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 8-[[(1,1-dioxothiolan-3-yl)azaniumyl]methyl]-2-oxo-4-propylchromen-7-olate Traditional Name: 8-[[(1,1-diketothiolan-3-yl)ammonio]methyl]-2-keto-4-propyl-chromen-7-olate Formula: C17H21NO5S MolecularWeight: 351.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C3CCS(=O)(=O)C3)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C3CCS(=O)(=O)C3)[O-]

InChI

InChI=1S/C17H21NO5S/c1-2-3-11-8-16(20)23-17-13(11)4-5-15(19)14(17)9-18-12-6-7-24(21,22)10-12/h4-5,8,12,18-19H,2-3,6-7,9-10H2,1H3