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 6 results

Search term: GUBFKNDROVCUHE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3057575

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3
C29H42O11566.63723200
5143399

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20-,21?,22-,24?,26?,27-,28?,29-/m1/s1
C29H42O11566.63723200
10143030

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20?,21?,22-,24?,26?,27-,28?,29-/m1/s1
C29H42O11566.63722100
30810625

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20-,21?,22-,24?,26?,27-,28-,29-/m1/s1
C29H42O11566.63722200
4572856

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20-,21-,22-,24?,26?,27-,28-,29-/m1/s1
C29H42O11566.63721100

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