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 6 results

Search term: KVPWWFMJRIYOHW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2247106

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3
C21H22ClNO4387.85668211600
1051551

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3/t13-,14-/m1/s1
C21H22ClNO4387.85672100
1051552

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3/t13-,14+/m0/s1
C21H22ClNO4387.85672100
1051553

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3/t13-,14+/m1/s1
C21H22ClNO4387.85672100
1051554

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3/t13-,14-/m0/s1
C21H22ClNO4387.85672100
21471100

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3/p+1
C21H23ClNO4388.86411100

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