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 7 results

Search term: YOUWVNCQJOMMEU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8070320

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/b21-12-/t19-,22+,23+,24-,25-/m1/s1
C25H22Cl2O10S585.4072161400
57620355

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/t19-,22+,23+,24-,25-/m1/s1
C25H22Cl2O10S585.40723300
65998512

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/b21-12-/t19-,22+,23-,24-,25-/m1/s1
C25H22Cl2O10S585.407212500
71116301

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/b21-12+/t19?,22-,23+,24?,25+/m0/s1
C25H22Cl2O10S585.40721100
115040999

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/t19?,22-,23-,24?,25-/m1/s1
C25H22Cl2O10S585.40721100
128925002

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35)/t19-,22-,23+,24-,25-/m1/s1
C25H22Cl2O10S585.40721100

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