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
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Found 5 results

Search term: IJEVCNPWWCDYER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21344415

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C40H56O6/c1-24(2)26-15-20-40(23-45-35(44)28-12-10-9-11-27(28)34(42)43)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(46-25(3)41)36(4,5)30(37)16-19-39(31,38)8/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)/t26-,29?,30?,31?,32?,33?,37-,38+,39+,40?/m0/s1
C40H56O6632.8698500
22875361

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C40H56O6/c1-24(2)26-15-20-40(23-45-35(44)28-12-10-9-11-27(28)34(42)43)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(46-25(3)41)36(4,5)30(37)16-19-39(31,38)8/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)/t26-,29+,30?,31+,32?,33?,37-,38+,39+,40+/m0/s1
C40H56O6632.8695200
4267118

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C40H56O6/c1-24(2)26-15-20-40(23-45-35(44)28-12-10-9-11-27(28)34(42)43)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(46-25(3)41)36(4,5)30(37)16-19-39(31,38)8/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)
C40H56O6632.8690399999982100
17467458

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C40H56O6/c1-24(2)26-15-20-40(23-45-35(44)28-12-10-9-11-27(28)34(42)43)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(46-25(3)41)36(4,5)30(37)16-19-39(31,38)8/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)/t26?,29-,30?,31-,32?,33?,37+,38-,39-,40-/m1/s1
C40H56O6632.8691100
113652536

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C40H56O6/c1-24(2)26-15-20-40(23-45-35(44)28-12-10-9-11-27(28)34(42)43)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(46-25(3)41)36(4,5)30(37)16-19-39(31,38)8/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)/t26-,29+,30?,31+,32?,33?,37-,38+,39+,40+/m1/s1
C40H56O6632.8691100

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