(4-chloranyl-3-methyl-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C16H15ClO5S/c1-11-9-12(3-5-14(11)17)22-23(18,19)13-4-6-15-16(10-13)21-8-2-7-20-15/h3-6,9-10H,2,7-8H2,1H3