(2-ethoxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (2-ethoxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-ethoxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid o-phenetyl ester Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H18O6S/c1-2-20-14-6-3-4-7-16(14)23-24(18,19)13-8-9-15-17(12-13)22-11-5-10-21-15/h3-4,6-9,12H,2,5,10-11H2,1H3