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 4 results

Search term: SCYQBFSVKFFINI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2340510

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H44IN5O8/c1-7-29(4)17-22(40)32(44)30(5)21(39)12-13-28(2,3)25(30)24(42)26(31(32,6)46-29)45-27(43)36-15-14-35-23(41)11-9-18-8-10-20(37-38-34)19(33)16-18/h7-8,10,16,21,24-26,39,42,44H,1,9,11-15,17H2,2-6H3,(H,35,41)(H,36,43)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
C32H45IN5O8754.6328699999996500
95640546

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C32H44IN5O8/c1-7-29(4)17-22(40)32(44)30(5)21(39)12-13-28(2,3)25(30)24(42)26(31(32,6)46-29)45-27(43)36-15-14-35-23(41)11-9-18-8-10-20(37-38-34)19(33)16-18/h7-8,10,16,21,24-26,39,42,44H,1,9,11-15,17H2,2-6H3,(H,35,41)(H,36,43)
C32H44IN5O8753.62492200
58816689

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C32H44IN5O8/c1-7-29(4)17-22(40)32(44)30(5)21(39)12-13-28(2,3)25(30)24(42)26(31(32,6)46-29)45-27(43)36-15-14-35-23(41)11-9-18-8-10-20(37-38-34)19(33)16-18/h7-8,10,16,21,24-26,39,42,44H,1,9,11-15,17H2,2-6H3,(H,35,41)(H,36,43)/t21-,24-,25-,26-,29-,30?,31?,32-/m0/s1
C32H44IN5O8753.62491100
68024865

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H44IN5O8/c1-7-29(4)17-22(40)32(44)30(5)21(39)12-13-28(2,3)25(30)24(42)26(31(32,6)46-29)45-27(43)36-15-14-35-23(41)11-9-18-8-10-20(37-38-34)19(33)16-18/h7-8,10,16,21,24-26,39,42,44H,1,9,11-15,17H2,2-6H3,(H,35,41)(H,36,43)/t21-,24+,25+,26+,29+,30+,31-,32+/m0/s1
C32H44IN5O8753.62491100

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