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 3 results

Search term: 76095-16-4 (Found by approved synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4534997

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1
C24H32N2O9492.518984107131
21163123

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16?,17-;/m0./s1
C24H32N2O9492.51898920
58824050

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N2O5.C4H4O5/c1-3-28-19(24)14-17(12-11-16-8-5-4-6-9-16)22-15(2)20(25)23-13-7-10-18(23)21(26)27;5-3(6)1-2-4(7)9-8/h4-6,8-9,15,17-18,22H,3,7,10-14H2,1-2H3,(H,26,27);1-2,8H,(H,5,6)/b;2-1-/t15-,17-,18-;/m0./s1
C25H34N2O10522.54493300

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