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
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Single/Multi-component
Isotopically Labeled
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Found 5 results

Search term: SIGUESLDUAWFPE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
171115

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H41N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h10-16,18,21-22,27H,7-9,17,19-20H2,1-6H3/t21-,22+,27-/m1/s1
C28H41N3O2451.64412900
2594747

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H41N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h10-16,18,21-22,27H,7-9,17,19-20H2,1-6H3
C28H41N3O2451.6447100
8917743

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C28H41N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h10-16,18,21-22,27H,7-9,17,19-20H2,1-6H3/t21-,22+,27-/m1/s1/i1T,7T/t7?,21-,22+,27-
C28H39T2N3O2455.66032200
23014357

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H41N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h10-16,18,21-22,27H,7-9,17,19-20H2,1-6H3/t21-,22+,27+/m1/s1
C28H41N3O2451.6442100
114815058

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H41N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h10-16,18,21-22,27H,7-9,17,19-20H2,1-6H3/t21-,22-,27+/m0/s1
C28H41N3O2451.6441100

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