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 5 results

Search term: RPCYENFQQJKDTO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17467278

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,9,11,13-14,16,22-24,28,35,39H,5-8,10,12,15,17-18H2,1-2H3,(H,33,37)/t22-,23-,24-,28+,29-,30-,31-/m0/s1
C31H38N2O7550.64268500
1400862

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,9,11,13-14,16,22-24,28,35,39H,5-8,10,12,15,17-18H2,1-2H3,(H,33,37)/t22-,23+,24+,28+,29-,30+,31-/m0/s1
C31H38N2O7550.64262100
2929900

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,9,11,13-14,16,22-24,28,35,39H,5-8,10,12,15,17-18H2,1-2H3,(H,33,37)
C31H38N2O7550.6426199999982100
113598201

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,9,11,13-14,16,22-24,28,35,39H,5-8,10,12,15,17-18H2,1-2H3,(H,33,37)/t22-,23-,24-,28+,29-,30-,31-/m1/s1
C31H38N2O7550.64261100

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