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 7 results

Search term: NIGPPPVPMJYXFY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
477487

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)
C16H13NO4283.2787533600
1362809

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/t9-,10+,12-,13+
C16H13NO4283.27877600
65097283

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/t9-,10+,12?,13?
C16H13NO4283.27875500
5028502

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/t9-,10+,12-,13-/m0/s1
C16H13NO4283.27872100
28473729

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/t9-,10+,12-,13?/m1/s1
C16H13NO4283.27872100
5028501

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/p-1/t9-,10-,12+,13+/m1/s1
C16H12NO4282.27131100
1362808

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/p-1/t9-,10-,12-,13+/m0/s1
C16H12NO4282.27131100

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