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: PVNMXRCZZJZTHX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4659702

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H26N4O3S/c1-5-34-26(33)23-16(2)29-27-31(24(23)17-10-12-19(13-11-17)30(3)4)25(32)22(35-27)14-18-15-28-21-9-7-6-8-20(18)21/h6-15,24,28H,5H2,1-4H3/b22-14-
C27H26N4O3S486.5853191500
2137133

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H26N4O3S/c1-5-34-26(33)23-16(2)29-27-31(24(23)17-10-12-19(13-11-17)30(3)4)25(32)22(35-27)14-18-15-28-21-9-7-6-8-20(18)21/h6-15,24,28H,5H2,1-4H3
C27H26N4O3S486.585346300
1375940

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H26N4O3S/c1-5-34-26(33)23-16(2)29-27-31(24(23)17-10-12-19(13-11-17)30(3)4)25(32)22(35-27)14-18-15-28-21-9-7-6-8-20(18)21/h6-15,24,28H,5H2,1-4H3/b22-14-/t24-/m0/s1
C27H26N4O3S486.58532100

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