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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 9 results

Search term: ZIBGPNICZWZARG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943797

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11-,17-14-,18-16-,19-10-/t20-,22-,24+,25+,26+,27+,31+/m1/s1
C31H47NO8561.70687400
29814023

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14+,18-16+,19-10+/t20?,22-,24?,25-,26+,27+,31-/m0/s1
C31H47NO8561.70685300
88296983

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14+,18-16+,19-10+/t20-,22+,24+,25+,26-,27-,31+/m1/s1
C31H47NO8561.70684300
4943732

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11-,17-14+,18-16-,19-10-/t20-,22+,24+,25+,26-,27-,31-/m1/s1
C31H47NO8561.70683200
115284741

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14+,18-16+,19-10+/t20-,22+,24+,25+,26-,27-,31?/m1/s1
C31H47NO8561.70682200
59701591

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11-,17-14+,18-16-,19-10-/t20-,22+,24+,25+,26-,27-,31+/m1/s1
C31H47NO8561.70682100
8252070

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14+,18-16+,19-10+/t20?,22-,24?,25-,26+,27+,31?/m0/s1
C31H47NO8561.70682100
127383725

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14u,18-16u,19-10u/t20?,22-,24?,25-,26+,27-,31-/m0/s1
C31H47NO8561.70681100
90636761

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11+,17-14+,18-16+,19-10+/t20-,22+,24+,25-,26-,27-,31+/m1/s1
C31H47NO8561.70681100

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