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 14 results

Search term: LJVAWOSDJSQANR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21171228

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m1../s1
C36H52ClMnN2O2635.2013322800
21171274

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m0../s1
C36H52ClMnN2O2635.2013232300
28467754

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22+;;
C36H52ClMnN2O2635.2013111300
68057320

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22u;;/t29-,30-;;/m1../s1
C36H52ClMnN2O2635.20136500
27473369

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22-;;/t29-,30-;;/m0../s1
C36H52ClMnN2O2635.20135300
27473356

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22-;;/t29-,30-;;/m1../s1
C36H52ClMnN2O2635.20134200
8386975

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22+;;/t29-,30-;;/m0../s1
C36H52ClMnN2O2635.20133300
107563517

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22u;;/t29-,30-;;/m0../s1
C36H52ClMnN2O2635.20132100
117013007

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22-;;/t29-,30+;;
C36H52ClMnN2O2635.20131100
78433734

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22+;;/t29-,30-;;/m1../s1
C36H52ClMnN2O2635.20131100
8162126

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21-,38-22+;;
C36H52ClMnN2O2635.20131100

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