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 7 results

Search term: LIZYQIOAPWRBEB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4689012

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/b27-23+
C40H56O4600.87028400
21781511

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/b27-23+/t29-,30?,31?,32?,33?,37-,38+,39+,40?/m0/s1
C40H56O4600.87024300
2382612

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3
C40H56O4600.8702399999982100
10082662

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/t29-,30+,31+,32-,33-,37-,38-,39+,40-/m0/s1
C40H56O4600.87022100
10082663

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/b27-23+/t29-,30+,31+,32-,33-,37+,38-,39+,40-/m0/s1
C40H56O4600.87022100
10082664

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/b27-23+/t29-,30+,31+,32+,33-,37-,38-,39+,40-/m0/s1
C40H56O4600.87022100
10082665

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H56O4/c1-10-44-28-13-11-26(12-14-28)23-27-24-37(6)31(36(4,5)34(27)41)18-19-39(8)32(37)16-15-30-33-29(25(2)3)17-20-40(33,35(42)43-9)22-21-38(30,39)7/h11-14,23,29-33H,2,10,15-22,24H2,1,3-9H3/b27-23+/t29-,30+,31+,32+,33-,37+,38-,39+,40-/m0/s1
C40H56O4600.87022100

Advertisement