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: IKGZFJCMJFERPR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944036

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/b6-4+/t7-,9+/m0/s1
C11H13NO4S255.29025560
20144133

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/b6-4-/t7-,9+/m0/s1
C11H13NO4S255.29022200
23353274

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/t7-,9+/m0/s1
C11H13NO4S255.29021100
34895973

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/p-1/t7-,9+/m0/s1
C11H12NO4S254.28281100
95608283

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/b6-4-
C11H13NO4S255.29021100
8644141

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C11H13NO4S/c1-5(13)4-6-8(14)12-7(10(15)16)11(2,3)17-9(6)12/h4,7,9H,1-3H3,(H,15,16)/b6-4+/t7-,9?/m0/s1
C11H13NO4S255.29021100

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