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 3 results

Search term: AAIWVNZNCMTTQF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2339115

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21N3O4S/c1-25-7-6-14(19-10-21)16(22)20-15(17(23)24)8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1
C17H21N3O4S363.43134131200
3145593

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21N3O4S/c1-25-7-6-14(19-10-21)16(22)20-15(17(23)24)8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)
C17H21N3O4S363.431312800
5384367

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21N3O4S/c1-25-7-6-14(19-10-21)16(22)20-15(17(23)24)8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t14-,15-/m0/s1
C17H20N3O4S362.42391100

Advertisement