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 13 results

Search term: IPJUIRDNBFZGQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
79584

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1
C12H15NO5253.2512916605
745887

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m0/s1
C12H15NO5253.2512704800
383460

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)
C12H15NO5253.2512414305
745886

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10-/m0/s1
C12H15NO5253.251215800
16742616

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8?,10-/m0/s1
C12H15NO5253.251215706
745888

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10-/m1/s1
C12H15NO5253.251213600
21242803

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8?,10-/m1/s1
C12H15NO5253.25128400
23089288

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10?/m1/s1
C12H15NO5253.25124205
5305753

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/p-1/t8-,10+/m1/s1
C12H14NO5252.243261100
5323529

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/p-1/t8-,10-/m0/s1
C12H14NO5252.243261100
5323530

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/p-1/t8-,10+/m0/s1
C12H14NO5252.243261100
5323531

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/p-1/t8-,10-/m1/s1
C12H14NO5252.243261100

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