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 12 results

Search term: JATPLOXBFFRHDN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2015691

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1
C9H18ClNO4239.6965858453712
171174

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H
C9H18ClNO4239.696526437907
21470045

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m0./s1
C9H18ClNO4239.6965281800
24531991

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i1D3;
C9H15D3ClNO4242.715212800
24532999

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i2D3;
C9H15D3ClNO4242.715151300
17341231

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i7+1;
C813CH18ClNO4240.6892131300
49071756

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i1+1,7+1;
C713C2H18ClNO4241.68187500
26323927

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/i1D3;
C9H15D3ClNO4242.7152200
78429581

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/p+1/t8-;/m0./s1
C9H19ClNO4240.70391100
78434014

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/p+1/t8-;/m1./s1
C9H19ClNO4240.70391100
114394306

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i2T3,3T3,4T3;
C9H9T9ClNO4257.76951100
17346214

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/p+1
C9H19ClNO4240.70391100

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