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: DLCLYUTWBTWFSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4143269

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)
C16H25NO3S311.4396231500
29366442

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/t10-,11+,12-,13?,16-
C16H25NO3S311.43964500
5472339

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/t10?,11?,12?,13-,16?/m1/s1
C16H25NO3S311.43963200
5472337

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/t10?,11?,12?,13-,16?/m0/s1
C16H25NO3S311.43963200
5472338

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/p-1/t10?,11?,12?,13-,16?/m1/s1
C16H24NO3S310.43221100
5472336

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/p-1/t10?,11?,12?,13-,16?/m0/s1
C16H24NO3S310.43221100

Advertisement