4984-82-1 Purity
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Specification
The PubChem CID of Glucotropaeolin is 656498.
The molecular formula of Glucotropaeolin is C14H19NO9S2.
Some synonyms of Glucotropaeolin are Glucotropeolin, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate, and Benzyl glucosinolate.
The molecular weight of Glucotropaeolin is 409.4 g/mol.
The IUPAC Name of Glucotropaeolin is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate.
The InChI of Glucotropaeolin is InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1.
The InChIKey of Glucotropaeolin is QQGLQYQXUKHWPX-LPUQOGTASA-N.
The Canonical SMILES of Glucotropaeolin is C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O.
The CAS number of Glucotropaeolin is 499-26-3.