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 5 results

Search term: DIPJXUVDWOTGIP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17360742

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)/b26-15-,34-20+
C33H43N5O5589.7256500
64186181

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)/b26-15u,34-20+
C33H43N5O5589.7253500
34433259

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)/b26-15+,34-20+
C33H43N5O5589.7252100
3342535

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)
C33H43N5O5589.7250199999982100
13087277

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)/b26-15-,34-20u
C33H43N5O5589.7251100

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