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
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Found 5 results

Search term: YHXSUSPTGLHIRR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4954923

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1
C23H31ClO5422.94227700
8269286

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9-,14-8-/t18?,19-/m0/s1
C23H31ClO5422.94222100
64881982

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+
C23H31ClO5422.94221100
115296122

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3
C23H31ClO5422.94221100
128919991

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/p-1/b13-9+,14-8+/t18-,19-/m0/s1
C23H30ClO5421.93481100

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