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 7 results

Search term: VVPRQWTYSNDTEA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2497478

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
C13H25NO4259.3419303300
4932273

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3
C13H25NO4259.34192121201
2339561

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1
C13H26NO4260.3498410800
2497479

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1
C13H26NO4260.34937600
68906012

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1/i2D3
C13H22D3NO4262.36043200
78333907

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/i1D3
C13H22D3NO4262.36041100
114553757

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
C13H25NO4259.34191100

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