(2-methoxy-4-prop-2-enyl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (4-allyl-2-methoxy-phenyl) ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H17NO6S/c1-3-4-12-5-7-16(17(9-12)23-2)25-26(21,22)13-6-8-15-14(10-13)19-18(20)11-24-15/h3,5-10H,1,4,11H2,2H3,(H,19,20)