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

Systemtic Name: 2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid Openeye Name: 2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid CAS Name: 2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid IUPAC Name: 2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonic acid Traditional Name: 2-(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(N1CCS(=O)(=O)O)C=C(C=C2)C

Isomeric SMILES

CC1COC2=C(N1CCS(=O)(=O)O)C=C(C=C2)C

InChI

InChI=1S/C12H17NO4S/c1-9-3-4-12-11(7-9)13(10(2)8-17-12)5-6-18(14,15)16/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,15,16)