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 8 results

Search term: DTOUUUZOYKYHEP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3481

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
C21H45N3339.602167146053
5036526

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20-/m0/s1
C21H45N3339.60215400
5415718

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20+,21?
C21H45N3339.60212100
5415719

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20-/m0/s1
C21H48N3342.62431100
34987622

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20-/m1/s1
C21H45N3339.60211100
34987623

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20+,21+
C21H45N3339.60211100
34987624

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20+,21-
C21H45N3339.60211100
5415717

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20+,21?
C21H48N3342.62431100

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