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
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Found 6 results

Search term: OIXLIHYKMPAROR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2032909

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18?,19?,20-,21-,22?,24?,27+,28-,29?/m1/s1
C29H40O9532.6224999999996400
3446562

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3
C29H40O9532.6224999999993200
5499095

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18-,19-,20-,21-,22-,24-,27+,28-,29-/m1/s1
C29H40O9532.62253200
5499096

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18-,19+,20-,21-,22-,24-,27+,28-,29-/m1/s1
C29H40O9532.62253200
5499093

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18-,19-,20-,21-,22+,24-,27+,28-,29-/m1/s1
C29H40O9532.62252100
5499094

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18-,19+,20-,21-,22+,24-,27+,28-,29-/m1/s1
C29H40O9532.62252100

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