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 10 results

Search term: MLFZQFHGXSVTGX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9977495

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1
C33H30O17698.5811121100
4591134

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33?/m0/s1
C33H30O17698.58118600
4591518

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3
C33H30O17698.58117803
4580873

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10?,15?,17-,18?,23?,30-,33-/m1/s1
C33H30O17698.58114300
59700864

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33-/m0/s1
C33H30O17698.58112100
8684396

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1/i5+1,6+1,7+1,8+1,19+1,20+1,22+1,24+1,27+1,28+1,31+1,33+1
C2113C12H30O17710.4932200
8732125

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1/i11+1,12+1,13+1,14+1,16+1,17+1,21+1,25+1,26+1,29+1,30+1,32+1
C2113C12H30O17710.4932200
8851558

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1/i2+1,3+1,4+1
C3013C3H30O17701.55912200
8898912

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1/i5+1,6+1,7+1,8+1,11+1,12+1,13+1,14+1,16+1,17+1,19+1,20+1,21+1,22+1,24+1,25+1,26+1,27+1,28+1,29+1,30+1,31+1,32+1,33+1
C913C24H30O17722.40482200
9017761

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33+/m0/s1/i1+1,9+1,10+1,15+1,18+1,23+1
C2713C6H30O17704.5372200

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