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 7 results

Search term: VQHWAOZYKVGMQX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2195018

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)
C10H14O5S246.28016272800
164841

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10-/m1/s1
C10H14O5S246.2802211400
1606560

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10-/m0/s1
C10H14O5S246.28024100
19992731

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6?,10-/m1/s1
C10H14O5S246.28022200
78433303

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10+/m0/s1
C10H14O5S246.28021100
1554061

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/p-1/t6-,10+/m0/s1
C10H13O5S245.27281100
1606559

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/p-1/t6-,10+/m1/s1
C10H13O5S245.27281100

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