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 21 results

Search term: NGHVIOIJCVXTGV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10611


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
C8H12N2O3S216.2575140452385134
157

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)
C8H12N2O3S216.2575413700
21474942

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3?,4-,6?/m0/s1
C8H12N2O3S216.257513800
9162883

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3?,4-,6+/m0/s1
C8H12N2O3S216.257597385134
5380971

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1
C8H12N2O3S216.25757600
108356

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6?/m1/s1
C8H12N2O3S216.25755400
4573869

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1
C8H11N2O3S215.25014600
5028012

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6+/m1/s1
C8H12N2O3S216.25754400
17460032

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4-,6?/m0/s1
C8H12N2O3S216.25754100
5417054

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4-,6-/m0/s1
C8H12N2O3S216.25753300
4809720

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4-,6-/m1/s1
C8H12N2O3S216.25753300
1265928

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6+/m0/s1
C8H12N2O3S216.25752200
5415614

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4-,6+/m1/s1
C8H12N2O3S216.25752200
8013231

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1/i1+2,2+2,3+2,4+2,5+2,6+2,8+2
C14C7H12N2O3S230.20532200
19953555

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6?/m0/s1
C8H12N2O3S216.25752200
61315341

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m0/s1
C8H12N2O3S216.25752200
107444118

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1/i1D3/t3-,4+,6-,8?
C8H9D3N2O3S219.2761300
110540352

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3?,4-,6-/m0/s1
C8H12N2O3S216.25751100
115011338

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1/i1D3/t3-,4+,6-,8-
C8H9D3N2O3S219.2761100
12

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