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 9 results

Search term: LRPBXXZUPUBCAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97256

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8-,9-,12-/m1/s1
C12H13N5O4291.2627323600
3145

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2
C12H13N5O4291.26275500
114813340

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8-,9+,12-/m1/s1
C12H13N5O4291.26273300
128752446

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8+,9-,12-/m1/s1
C12H13N5O4291.26273300
21200560

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/p+1/t6-,8-,9-,12-/m1/s1
C12H14N5O4292.27011100
29789732

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8?,9?,12-/m1/s1
C12H13N5O4291.26271100
71116471

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8+,9?,12-/m1/s1
C12H13N5O4291.26271100
114394380

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H13N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-20H,3H2/t6-,8+,9?,12-/m1/s1/i5T
C12H12TN5O4293.27081100

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