Chem
J-GLOBAL ID：200907000870963882
Nikkaji number：J2.638.514H
(3S)-3β,7β,11β-Tris(4-bromophenoxycarbonylamino)-1,5,9-trioxacyclododecane-2,6,10-trione
(3S)-3β,7β,11β-トリス(4-ブロモフェノキシカルボニルアミノ)-1,5,9-トリオキサシクロドデカン-2,6,10-トリオン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C30H24Br3N3O12
Molecular formula furigana： C30-H24-BR3-N3-O12
Molecular weight： 858.243
InChI：
InChI=1S/C30H24Br3N3O12/c31-16-1-7-19(8-2-16)46-28(40)34-22-13-43-26(38)24(36-30(42)48-21-11-5-18(33)6-12-21)15-45-27(39)23(14-44-25(22)37)35-29(41)47-20-9-3-17(32)4-10-20/h1-12,22-24H,13-15H2,(H,34,40)(H,35,41)(H,36,42)
InChI key：
BGLSZQZLSGOTPM-UHFFFAOYSA-N
SMILES：
Brc1ccc(OC(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)Oc2ccc(Br)cc2)NC(=O)Oc2ccc(Br)cc2)cc1
Systematic name (3)：
- (3S)-3β,7β,11β-トリス(4-ブロモフェノキシカルボニルアミノ)-1,5,9-トリオキサシクロドデカン-2,6,10-トリオン
- 4-ブロモフェニル N-[(3S,7S,11S)-7,11-ビス({[(4-ブロモフェノキシ)カルボニル]アミノ})-2,6,10-トリオキソ-1,5,9-トリオキサシクロドデカン-3-イル]カルバマート
- 4-bromophenyl N-[(3S,7S,11S)-7,11-bis({[(4-bromophenoxy)carbonyl]amino})-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]carbamate
- (3S)-3β,7β,11β-Tris(4-bromophenoxycarbonylamino)-1,5,9-trioxacyclododecane-2,6,10-trione
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