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
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Found 7 results

Search term: RDZKUDPALZMKLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10049748

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/b9-6+/t21-,24-,25-/m0/s1
C25H29NO3391.502713900
60554569

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/b9-6+/t21?,24-,25?/m0/s1
C25H29NO3391.50273200
1389550

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/p+1/b9-6+/t21-,24-,25-/m1/s1
C25H30NO3392.51012200
1389551

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/b9-6+/t21-,24-,25-/m1/s1
C25H29NO3391.50272100
2948721

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2
C25H29NO3391.502662100
10049747

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/p+1/b9-6+/t21-,24-,25-/m0/s1
C25H30NO3392.51011100
35312368

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/t21-,24-,25-/m0/s1
C25H29NO3391.50271100

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