7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid

Systemtic Name: 7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid Openeye Name: 7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid CAS Name: 7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid IUPAC Name: 7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid Traditional Name: 7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCCN(C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCCN(C2)S(=O)(=O)O

InChI

InChI=1S/C10H13NO5S/c1-15-9-2-3-10-8(6-9)7-11(4-5-16-10)17(12,13)14/h2-3,6H,4-5,7H2,1H3,(H,12,13,14)