Direct Brown 95

group of stereoisomers with the chemical formula C₃₁H₁₆CuN₆O₉S·2Na

Wikidata entity: Q72469565

C₃₁H₁₆CuN₆O₉S·2Na (P274)




Quantities

P2067mass758.9947332160001

P233 canonical SMILES String O=C(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4c([O-])ccc(/N=N/c5cc(S(=O)(=O)O)ccc5[O-])c4[O-])cc3)cc2)ccc1[O-].[Cu+2].[Na+].[Na+] ???
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String O=C(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4c([O-])ccc(/N=N/c5cc(S(=O)(=O)O)ccc5[O-])c4[O-])cc3)cc2)ccc1[O-].[Cu+2].[Na+].[Na+] ???
P279 subclass of ... Q11173 (chemical compound) chemical compound
P2868 subject has role ... Q187661 (carcinogen) carcinogen

External Ids
P7524CA PROP 65 IDdirect-brown-95-technical-grade
P11931CAMEO Chemicals ID16150
P231CAS Registry Number16071-86-6
P661ChemSpider ID17215001
P2027Colour Index International constitution ID30145
P8494DSSTOX compound identifierDTXCID50201
P3117DSSTox substance IDDTXSID3020201
P232EC number240-221-1
P2566ECHA Substance Infocard ID100.036.549
P7025HCIS ID1021
P2062HSDB ID5082
P234InChIInChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,36-35+,37-33?;;;
P235InChIKeyHZBTZQVWJPRVDN-NQSQUIFHSA-J
P662PubChem CID136224831
P11089UniChem compound ID168345334
P652UNII47250W6X0H
P679ZVG number496435

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