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
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Found 3 results

Search term: 16830-15-2 (Found by approved synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10128466

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
C48H78O19959.1215333800
16735678

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H78O16/c1-22-12-17-48(19-18-46(7)25(30(48)23(22)2)10-11-29-45(6)15-9-14-44(4,5)28(45)13-16-47(29,46)8)43(58)64-42-37(56)34(53)32(51)27(62-42)21-59-40-38(57)35(54)39(26(20-49)61-40)63-41-36(55)33(52)31(50)24(3)60-41/h10,22-24,26-42,49-57H,9,11-21H2,1-8H3/t22-,23+,24+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,45+,46-,47-,48+/m1/s1
C48H78O16911.12331113371
17340595

25 of 27 defined stereocentres - 25/27 defined
InChI=1/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22-,24-,25-,26-,27?,28-,29?,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
C48H78O19959.121571300

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