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: ZFNZUEPTVKXRNH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7845555

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C51H64N4O13/c1-12-26(4)54-17-19-55(20-18-54)32-22-33(57)39-35(23-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-21-16-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)24(2)14-13-15-25(3)50(63)53-41(48)45(37)61/h13-16,21-24,26-29,34,42-43,46,52,57-60H,12,17-20H2,1-11H3/b14-13+,21-16+,25-15-,53-41+/t24-,26?,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1
C51H64N4O13941.07294400
7848676

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C51H64N4O13/c1-12-26(4)54-17-19-55(20-18-54)32-22-33(57)39-35(23-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-21-16-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)24(2)14-13-15-25(3)50(63)53-41(48)45(37)61/h13-16,21-24,26-29,34,42-43,46,52,57-60H,12,17-20H2,1-11H3/b14-13+,21-16+,25-15-,53-41+/t24-,26+,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1
C51H64N4O13941.07293300
7848677

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C51H64N4O13/c1-12-26(4)54-17-19-55(20-18-54)32-22-33(57)39-35(23-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-21-16-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)24(2)14-13-15-25(3)50(63)53-41(48)45(37)61/h13-16,21-24,26-29,34,42-43,46,52,57-60H,12,17-20H2,1-11H3/b14-13+,21-16+,25-15-,53-41+/t24-,26-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1
C51H64N4O13941.07293300
8435738

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C51H64N4O13/c1-12-26(4)54-17-19-55(20-18-54)32-22-33(57)39-35(23-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-21-16-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)24(2)14-13-15-25(3)50(63)53-41(48)45(37)61/h13-16,21-24,26-29,34,42-43,46,52,57-60H,12,17-20H2,1-11H3/b14-13+,21-16+,25-15-,53-41+
C51H64N4O13941.07292100

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