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

Systemtic Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinic acid Openeye Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinic acid CAS Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinic acid IUPAC Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinic acid Traditional Name: 2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenesulfinic acid Formula: C17H18NO3S+ MolecularWeight: 316.39472

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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/p+1