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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: CNWUADJOXCLDJI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26340762

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21+,22-,23-/m1/s1
C28H40N2O7516.62643200
26396696

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21-,22-,23+/m0/s1
C28H40N2O7516.62643200
26640448

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21-,22+,23-/m0/s1
C28H40N2O7516.62643200
26645573

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21+,22-,23+/m1/s1
C28H40N2O7516.62643200
28657633

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21+,22+,23+/m1/s1
C28H40N2O7516.62643200
29402704

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8-/t19-,21-,22-,23-/m0/s1
C28H40N2O7516.62643200
58140646

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8+/t19-,21-,22-,23+/m0/s1
C28H40N2O7516.62641100
58140738

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8+/t19-,21-,22+,23-/m0/s1
C28H40N2O7516.62641100
58140757

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H40N2O7/c1-19-18-36-27(35)22(16-25(33)37-28(2,3)4)13-9-8-12-21(26(34)29-19)15-24(32)30-23(17-31)14-20-10-6-5-7-11-20/h5-11,19,21-23,31H,12-18H2,1-4H3,(H,29,34)(H,30,32)/b9-8+/t19-,21+,22-,23-/m1/s1
C28H40N2O7516.62641100

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