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 9 results

Search term: BCKDNMPYCIOBTA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66048

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
C11H15N5O4281.26793610200
232607

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)
C11H15N5O4281.2679112100
2497077

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7-/m0/s1
C11H15N5O4281.26794300
5145634

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/p+1/t5-,6+,7-/m0/s1
C11H16N5O4282.27532100
9262416

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1/i3T/t3?,5-,6+,7+
C11H14TN5O4283.2762200
9922812

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1/i2T,7T/t2-,5+,6-,7-/m1
C11H13T2N5O4285.28412100
59757931

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5?,6-,7-/m1/s1
C11H15N5O4281.26792200
103848691

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1/i1D3
C11H12D3N5O4284.28642500

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