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 9 results

Search term: PXGXVJQZVLXWGR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
224755

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3
C40H52O4596.838512600
4453560

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26?,31?,32?,34?,35?,36?,37?,38-,39?,40?/m0/s1
C40H52O4596.8384799999988400
59755483

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26-,31-,32-,34+,35-,36+,37+,38+,39+,40-/m1/s1
C40H52O4596.83853100
10082885

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26-,31-,32-,34+,35-,36-,37+,38-,39-,40+/m0/s1
C40H52O4596.83852100
10082886

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26-,31+,32+,34-,35+,36+,37-,38+,39+,40-/m1/s1
C40H52O4596.83852100
10082887

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26-,31-,32-,34+,35+,36-,37+,38-,39-,40+/m0/s1
C40H52O4596.83852100
10082888

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3/t26-,31+,32+,34-,35-,36+,37-,38+,39+,40-/m1/s1
C40H52O4596.83852100

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