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: UMKYPSRHNFTVJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29215483

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8+,23-13-/t22?,24?,26?,27-,28?,29?,33?/m0/s1
C33H51NO7573.76052200
78445701

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8-,23-13-/t22?,24?,26?,27-,28?,29?,33?/m0/s1
C33H51NO7573.76051100
28287360

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8+,23-13-/t22?,24?,26?,27-,28?,29?,33?/m1/s1
C33H51NO7573.76051100

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