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 12 results

Search term: ABTRFGSPYXCGMR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444664

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
C40H56O552.872282901
4904575

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
C40H56O552.872121500
10380668

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23-,35-24+,36-26+/t38-/m1/s1
C40H56O552.8723327
35014316

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11-,21-14-,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24-,36-26-
C40H56O552.8723200
74849519

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11-,21-14-,22-16+,25-15+,28-27+,32-18+,33-19+,34-23-,35-24-,36-26-
C40H56O552.8722200
4478914

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14-,22-16-,25-15+,28-27+,32-18+,33-19+,34-23+,35-24-,36-26-
C40H56O552.8722200
161428

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3
C40H56O552.8722100
95600529

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14u,22-16+,25-15u,28-27u,32-18u,33-19u,34-23+,35-24+,36-26u/t38-/m1/s1
C40H56O552.8721100
95748333

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16u,25-15+,28-27+,32-18u,33-19u,34-23u,35-24u,36-26u
C40H56O552.8721100
115295952

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14u,22-16+,25-15u,28-27u,32-18u,33-19u,34-23+,35-24+,36-26u
C40H56O552.8721200
120326393

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14u,22-16+,25-15u,28-27u,32-18u,33-19u,34-23-,35-24-,36-26u
C40H56O552.8721100

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