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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 10 results

Search term: KWFXBLQFMPZAOR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17464730

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20?,21?,22?,23?,24?,27-,28-,29+/m0/s1
C29H40N2O6512.63774100
62405881

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21-,22+,23-,24+,27+,28+,29-/m1/s1
C29H40N2O6512.63772200
62453150

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21-,22-,23+,24+,27+,28+,29-/m1/s1
C29H40N2O6512.63772200
62453162

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21+,22-,23+,24+,27-,28-,29+/m0/s1
C29H40N2O6512.63772300
62467078

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21-,22+,23-,24-,27+,28+,29-/m1/s1
C29H40N2O6512.63772200
62467096

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21+,22-,23+,24+,27+,28+,29-/m0/s1
C29H40N2O6512.63772200
62494059

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21+,22-,23+,24-,27+,28+,29-/m0/s1
C29H40N2O6512.63772300
62529071

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21+,22+,23-,24-,27-,28-,29+/m0/s1
C29H40N2O6512.63772200
62671479

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20-,21-,22+,23-,24+,27-,28-,29+/m1/s1
C29H40N2O6512.63772400
2968337

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3
C29H40N2O6512.63772100

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