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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 8 results

Search term: RSYKJHLWNMXRKZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944754

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1
C34H40N2O5556.69183300
23327354

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14-,19-16-/t18-,20-,23-,24-,28?,29-,30+,31-,33+,34-/m0/s1
C34H40N2O5556.69182200
384158

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)
C34H40N2O5556.69182100
4585454

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14-,19-16+
C34H40N2O5556.69182200
4509014

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16+/t18-,20+,23-,24-,28-,29?,30+,31-,33+,34+/m0/s1
C34H40N2O5556.69181100
34536459

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16+/t18-,20+,23-,24-,28?,29-,30+,31-,33+,34+/m0/s1
C34H40N2O5556.69181100
58134504

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9-,15-14-,19-16-/t18-,20-,23-,24-,28?,29-,30+,31-,33+,34-/m0/s1
C34H40N2O5556.69181100
58818135

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9-,15-14-,19-16-/t18-,20+,23-,24-,28-,29?,30+,31-,33?,34+/m0/s1
C34H40N2O5556.69181100

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