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 30 results

Search term: HZZVJAQRINQKSD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444466

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
C8H9NO5199.1608701003541208
4715578

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-
C8H9NO5199.160814226300
4444478

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1
C8H9NO5199.16076131200
4510077

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+
C8H9NO5199.160810800
16744271

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/t6-,7-/m1/s1
C8H9NO5199.160887224759
2087

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)
C8H9NO5199.16087700
17332773

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
C8H8NO5198.15345500
17540092

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1+
C8H8NO5198.15343100
8113878

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6?,7-/m1/s1
C8H9NO5199.16083200
10809697

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-
C8H8NO5198.15343300
5613302

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7+/m1/s1
C8H9NO5199.16082100
5613304

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m0/s1
C8H9NO5199.16082100
5613307

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7+/m0/s1
C8H9NO5199.16082100
8013338

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7+/m1/s1
C8H9NO5199.16082200
59006715

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/t6-,7+/m0/s1
C8H9NO5199.16082200
113588460

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m0/s1
C8H9NO5199.16082200
114392879

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1/i3D2,6D,7D
C8H5D4NO5203.18541100
61485799

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/t6?,7-/m1/s1
C8H9NO5199.16081100
61707530

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/t6-,7?/m0/s1
C8H9NO5199.16081100
75243027

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7?/m0/s1
C8H9NO5199.16081100
12

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