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 6 results

Search term: JBJXPLUBCQAAAD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2357678

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)
C13H22N4O4S330.4031813900
5366288

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)/t8-,9-,11+/m1/s1
C13H22N4O4S330.40322100
5575743

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)/t8-,9-,11+/m0/s1
C13H22N4O4S330.40322100
5575744

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)/t8-,9-,11-/m0/s1
C13H22N4O4S330.40322100
5575745

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)/t8-,9+,11+/m0/s1
C13H22N4O4S330.40322100
5575746

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)/t8-,9+,11-/m0/s1
C13H22N4O4S330.40322100

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