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 3 results

Search term: MZONCSPFCSQCRN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10057471

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H42N4O4S/c1-28-9-8-24(35)29(2,19-34)23(28)17-22-26(32-27(38-22)31-18-20-6-4-3-5-7-20)21(28)16-25(36)30-10-11-33-12-14-37-15-13-33/h3-7,21,23-24,34-35H,8-19H2,1-2H3,(H,30,36)(H,31,32)/t21-,23+,24-,28+,29+/m1/s1
C29H42N4O4S542.73325200
2943387

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H42N4O4S/c1-28-9-8-24(35)29(2,19-34)23(28)17-22-26(32-27(38-22)31-18-20-6-4-3-5-7-20)21(28)16-25(36)30-10-11-33-12-14-37-15-13-33/h3-7,21,23-24,34-35H,8-19H2,1-2H3,(H,30,36)(H,31,32)
C29H42N4O4S542.7331799999992100
10057470

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H42N4O4S/c1-28-9-8-24(35)29(2,19-34)23(28)17-22-26(32-27(38-22)31-18-20-6-4-3-5-7-20)21(28)16-25(36)30-10-11-33-12-14-37-15-13-33/h3-7,21,23-24,34-35H,8-19H2,1-2H3,(H,30,36)(H,31,32)/p+1/t21-,23+,24-,28+,29+/m1/s1
C29H43N4O4S543.74061100

Advertisement