2-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]ethylsulfamic acid

Systemtic Name: 2-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]ethylsulfamic acid Openeye Name: 2-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]ethylsulfamic acid CAS Name: 2-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]ethylsulfamic acid IUPAC Name: 2-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]ethylsulfamic acid Traditional Name: 2-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]ethylsulfamic acid Formula: C18H21NO9S MolecularWeight: 427.42564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCNS(=O)(=O)O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCNS(=O)(=O)O)O)O

InChI

InChI=1S/C18H21NO9S/c1-27-17-5-3-11(8-14(17)21)2-4-13(20)18-15(22)9-12(10-16(18)23)28-7-6-19-29(24,25)26/h3,5,8-10,19,21-23H,2,4,6-7H2,1H3,(H,24,25,26)