Matches any text strings used to describe a molecule.
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 6 results

Search term: HDKCEXUWUBHFTM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17463085

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)/t21-,23?,25+,26-/m0/s1
C26H42N2O2414.62399700
5430844

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)/t21-,23-,25+,26-/m0/s1
C26H42N2O2414.62392100
2915330

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)
C26H42N2O2414.6238800000012100
5430842

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)/t21-,23+,25+,26-/m0/s1
C26H42N2O2414.62392100
5430843

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)/p+1/t21-,23-,25+,26-/m0/s1
C26H43N2O2415.63131100
5430841

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H42N2O2/c1-7-28(8-2)18-22-20(14-17-30-22)11-12-21-19(3)10-13-23-25(21,4)15-9-16-26(23,5)24(29)27-6/h14,17,21,23H,3,7-13,15-16,18H2,1-2,4-6H3,(H,27,29)/p+1/t21-,23+,25+,26-/m0/s1
C26H43N2O2415.63131100

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