4-[(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate

Systemtic Name: 4-[(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate Openeye Name: 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl ester IUPAC Name: 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)oxy]butyl ester Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCOS(=O)(=O)C)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCOS(=O)(=O)C)NC(=O)O1)C

InChI

InChI=1S/C15H21NO6S/c1-15(2)12-10-11(6-7-13(12)16-14(17)22-15)20-8-4-5-9-21-23(3,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)