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: ILABSMRKFLZNPK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
599748

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m1/s1
C17H21NO255.3547463300
599747

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m0/s1
C17H21NO255.3547423500
3803461

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3
C17H21NO255.35474161700
17956031

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17-/m1/s1
C17H21NO255.35474200
27471781

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17-/m0/s1
C17H21NO255.35473100
5296563

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/p+1/t16-,17+/m0/s1
C17H22NO256.362681100
5296564

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/p+1/t16-,17+/m1/s1
C17H22NO256.362681100

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