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 4 results

Search term: YMSVZNGDVRMFDC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4506709

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H19N3O5S/c1-13-19(22(29)30-3)20(16-6-8-17(9-7-16)31-14(2)27)26-21(28)18(32-23(26)25-13)11-15-5-4-10-24-12-15/h4-12,20H,1-3H3/b18-11+
C23H19N3O5S449.4791201400
2166052

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H19N3O5S/c1-13-19(22(29)30-3)20(16-6-8-17(9-7-16)31-14(2)27)26-21(28)18(32-23(26)25-13)11-15-5-4-10-24-12-15/h4-12,20H,1-3H3
C23H19N3O5S449.479065200
1374473

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H19N3O5S/c1-13-19(22(29)30-3)20(16-6-8-17(9-7-16)31-14(2)27)26-21(28)18(32-23(26)25-13)11-15-5-4-10-24-12-15/h4-12,20H,1-3H3/b18-11+/t20-/m1/s1
C23H19N3O5S449.47912100
1374474

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H19N3O5S/c1-13-19(22(29)30-3)20(16-6-8-17(9-7-16)31-14(2)27)26-21(28)18(32-23(26)25-13)11-15-5-4-10-24-12-15/h4-12,20H,1-3H3/b18-11+/t20-/m0/s1
C23H19N3O5S449.47912100

Advertisement