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 4 results

Search term: HRUCVTBGGOHZOO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34244595

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14+,19-16+/t25-,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H71NO17898.04173300
52083894

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14-,19-16-/t25-,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H71NO17898.04171100
58172738

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14?,19-16+/t25-,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H71NO17898.04171200
65322745

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14-,19-16+/t25?,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H71NO17898.04171100

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