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: STOWRYGXJGGBRU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2147799

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)
C22H22N2O4S410.48608261700
856721

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)/t19-/m0/s1
C22H22N2O4S410.48612100
856724

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)/t19-/m1/s1
C22H22N2O4S410.48612100
4365277

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)/p-1
C22H21N2O4S409.478141100
5458032

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)/p-1/t19-/m1/s1
C22H21N2O4S409.47871100
5458033

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)/p-1/t19-/m0/s1
C22H21N2O4S409.47871100

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