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 2 results

Search term: JMUPMJGUKXYCMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28295986

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C62H104N4O46/c1-15(76)63-19(5-67)32(81)48(20(80)6-68)106-55-29(64-16(2)77)38(87)51(27(13-75)102-55)109-60-47(96)52(110-62-54(44(93)36(85)24(10-72)101-62)112-57-31(66-18(4)79)40(89)50(26(12-74)104-57)108-59-46(95)42(91)34(83)22(8-70)99-59)37(86)28(105-60)14-97-61-53(43(92)35(84)23(9-71)100-61)111-56-30(65-17(3)78)39(88)49(25(11-73)103-56)107-58-45(94)41(90)33(82)21(7-69)98-58/h5,19-62,68-75,80-96H,6-14H2,1-4H3,(H,63,76)(H,64,77)(H,65,78)(H,66,79)/t19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47-,48+,49+,50+,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+/m0/s1
C62H104N4O461641.4884162000
2848319

0 of 44 defined stereocentres - 0/44 defined
InChI=1/C62H104N4O46/c1-15(76)63-19(5-67)32(81)48(20(80)6-68)106-55-29(64-16(2)77)38(87)51(27(13-75)102-55)109-60-47(96)52(110-62-54(44(93)36(85)24(10-72)101-62)112-57-31(66-18(4)79)40(89)50(26(12-74)104-57)108-59-46(95)42(91)34(83)22(8-70)99-59)37(86)28(105-60)14-97-61-53(43(92)35(84)23(9-71)100-61)111-56-30(65-17(3)78)39(88)49(25(11-73)103-56)107-58-45(94)41(90)33(82)21(7-69)98-58/h5,19-62,68-75,80-96H,6-14H2,1-4H3,(H,63,76)(H,64,77)(H,65,78)(H,66,79)
C62H104N4O461641.488364200

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