2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate

Systemtic Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate Openeye Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate CAS Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate IUPAC Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate Traditional Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinate Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=CC(=C(C(=C3)C)S(=O)[O-])C

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=CC(=C(C(=C3)C)S(=O)[O-])C

InChI

InChI=1S/C17H17NO3S/c1-11-5-4-6-14-9-18(10-21-16(11)14)15-7-12(2)17(22(19)20)13(3)8-15/h4-9H,10H2,1-3H3