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 5 results

Search term: PHACSLSFPGYKLR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589318

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25+,26?,27-/m0/s1
C27H25N3O3S471.57072200
8249037

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25-,26-,27+/m0/s1
C27H25N3O3S471.57072200
13600094

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
C27H25N3O3S471.570721900
58816607

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25-,26?,27?/m1/s1
C27H25N3O3S471.57071100
95601704

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25-,26?,27+/m1/s1
C27H25N3O3S471.57071100

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