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: CQKNELOTFUSOTP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26333231

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1
C18H37NO3315.49135600
9349603

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10-/t16-,17+,18-/m0/s1
C18H37NO3315.49134300
28590759

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+
C18H37NO3315.49133200
34448705

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/p+1/b11-10+/t16-,17+,18-/m0/s1
C18H38NO3316.49873300
57535348

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/t16-,17?,18-/m0/s1
C18H37NO3315.49131100
57558095

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3
C18H37NO3315.49131100
95600701

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17?,18-/m0/s1
C18H37NO3315.49131100

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