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: RKXNBHCKARUOTD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4095103

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2
C17H23N241.37122362900
65009714

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/t12-,13+,14-,16?,17?
C17H23N241.37129800
5537007

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/t12?,13?,14?,16-,17?/m1/s1
C17H23N241.37122100
5537005

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/t12?,13?,14?,16-,17?/m0/s1
C17H23N241.37122100
5537006

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/p+1/t12?,13?,14?,16-,17?/m1/s1
C17H24N242.37861100
5537004

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/p+1/t12?,13?,14?,16-,17?/m0/s1
C17H24N242.37861100
110449906

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2/t12-,13+,14-,16?,17-
C17H23N241.37121100

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