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 13 results

Search term: XPHOBMULWMGEBA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
168149

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1
C7H13NO4175.1824397700
3407499

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2
C7H13NO4175.18242114700
8925089

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6+,7-/m0/s1
C7H13NO4175.18247700
25057096

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1
C7H13NO4175.18245500
9761133

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4?,5-,6+,7+/m1/s1
C7H13NO4175.18244400
61597833

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6-,7-/m0/s1
C7H13NO4175.18244400
8758814

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1/i2T/t2?,4-,5+,6-,7-
C7H12TNO4177.19052300
21240509

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/p+1/t4-,5-,6+,7+/m0/s1
C7H14NO4176.18981100
61647952

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6?,7+/m0/s1
C7H13NO4175.18241100
61687157

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6?,7-/m1/s1
C7H13NO4175.18241100
65792430

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7+/m0/s1
C7H13NO4175.182411000
61394905

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6+,7+/m1/s1
C7H13NO4175.18241100
61419734

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6-,7+/m1/s1
C7H13NO4175.18241100

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