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 4 results

Search term: UPLXHYOHPJCVMM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12276016

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25N5O4/c1-29-10-5-9-26-18(22)15(20(27)23-13-14-6-4-11-30-14)12-16-19(26)24-17-7-2-3-8-25(17)21(16)28/h2-3,7-8,12,14,22H,4-6,9-11,13H2,1H3,(H,23,27)
C21H25N5O4411.4543211800
562709

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25N5O4/c1-29-10-5-9-26-18(22)15(20(27)23-13-14-6-4-11-30-14)12-16-19(26)24-17-7-2-3-8-25(17)21(16)28/h2-3,7-8,12,14,22H,4-6,9-11,13H2,1H3,(H,23,27)/b22-18+
C21H25N5O4411.45435200
5376433

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5O4/c1-29-10-5-9-26-18(22)15(20(27)23-13-14-6-4-11-30-14)12-16-19(26)24-17-7-2-3-8-25(17)21(16)28/h2-3,7-8,12,14,22H,4-6,9-11,13H2,1H3,(H,23,27)/p+1/t14-/m1/s1
C21H26N5O4412.46172100
5376434

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5O4/c1-29-10-5-9-26-18(22)15(20(27)23-13-14-6-4-11-30-14)12-16-19(26)24-17-7-2-3-8-25(17)21(16)28/h2-3,7-8,12,14,22H,4-6,9-11,13H2,1H3,(H,23,27)/p+1/t14-/m0/s1
C21H26N5O4412.46172100

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