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: YCZAEBFSTKVRIP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
347981

11 of 16 defined stereocentres - 11/16 defined
InChI=1/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18?,20+,21+,22+,23+,24+,25+,26+,27-,28?,29?,30?,31?,32+,33+/m1/s1
C33H56O8580.79293200
3042116

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3
C33H56O8580.7929399999983200
8229547

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+/m1/s1
C33H56O8580.79292100
8433125

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18+,20+,21+,22+,23+,24-,25+,26?,27-,28?,29-,30-,31+,32+,33+/m1/s1
C33H56O8580.79292100
57641798

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18+,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+/m1/s1
C33H56O8580.79291100

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