2-[(6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]ethanoate

Systemtic Name: 2-[(6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]ethanoate Openeye Name: 2-[(6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]acetate CAS Name: 2-[(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)methylsulfonylamino]acetate IUPAC Name: 2-[(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]acetate Traditional Name: 2-[(6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]acetate Formula: C14H17ClNO6S- MolecularWeight: 362.80588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)Cl)CS(=O)(=O)NCC(=O)[O-])O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)Cl)CS(=O)(=O)NCC(=O)[O-])O)C

InChI

InChI=1S/C14H18ClNO6S/c1-14(2)13(19)10(7-23(20,21)16-6-12(17)18)9-5-8(15)3-4-11(9)22-14/h3-5,10,13,16,19H,6-7H2,1-2H3,(H,17,18)/p-1