1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid

Systemtic Name: 1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid Openeye Name: 1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid CAS Name: 1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid IUPAC Name: 1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid Traditional Name: 1-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=C(N1C(C)S(=O)(=O)O)C=C(C=C2)C

Isomeric SMILES

CC1COC2=C(N1C(C)S(=O)(=O)O)C=C(C=C2)C

InChI

InChI=1S/C12H17NO4S/c1-8-4-5-12-11(6-8)13(9(2)7-17-12)10(3)18(14,15)16/h4-6,9-10H,7H2,1-3H3,(H,14,15,16)