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 6 results

Search term: LERBUEGMFSDFOI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4977136

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+/t21-,26+,27-,28+,31+,32?/m1/s1
C32H41NO3487.672811900
4940903

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+
C32H41NO3487.67284600
24720472

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+/t21-,26+,27-,28+,31+,32?/m0/s1
C32H41NO3487.67283300
78440050

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+/t21-,26+,27-,28?,31+,32?/m1/s1
C32H41NO3487.67281100
113608326

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/t21-,26+,27?,28-,31-,32?/m1/s1
C32H41NO3487.67281100
129160618

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+/t21-,26+,27?,28+,31+,32?/m1/s1
C32H41NO3487.67281100

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