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
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Single/Multi-component
Isotopically Labeled
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Found 9 results

Search term: ONBWJWYUHXVEJS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4575435

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1
C16H17NO3271.3111324813
380506

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2
C16H17NO3271.31111421700
8553926

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12+,15-,16-/m0/s1
C16H17NO3271.31113100
57523096

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10-,12-,15-,16-/m0/s1
C16H17NO3271.31112300
111311726

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12?,15-,16-/m1/s1
C16H17NO3271.31111100
114952020

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9?,10-,12+,15+,16+/m1/s1/i5D2,6D/t6?,9?,10-,12+,15+,16+
C16H14D3NO3274.32961100
28660225

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9?,10-,12?,15?,16+/m1/s1
C16H17NO3271.31111100
2300892

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10?,12-,15-,16-/m0/s1
C16H17NO3271.311081100

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