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 5 results

Search term: SZQXSZSHYSNINW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3030856

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C38H62O11/c1-19(15-22(40)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(48-32)17-47-20(2)39/h19,21-25,27-32,40,42-46H,9-18H2,1-8H3
C38H62O11694.8922799999983200
5144358

5 of 16 defined stereocentres - 5/16 defined
InChI=1/C38H62O11/c1-19(15-22(40)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(48-32)17-47-20(2)39/h19,21-25,27-32,40,42-46H,9-18H2,1-8H3/t19-,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,35-,36+,37-,38-/m1/s1
C38H62O11694.89232100
8162778

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C38H62O11/c1-19(15-22(40)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(48-32)17-47-20(2)39/h19,21-25,27-32,40,42-46H,9-18H2,1-8H3/t19-,21-,22+,23+,24+,25-,27?,28+,29-,30+,31-,32-,35+,36-,37+,38+/m0/s1
C38H62O11694.89232100
8851508

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C38H62O11/c1-19(15-22(40)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(48-32)17-47-20(2)39/h19,21-25,27-32,40,42-46H,9-18H2,1-8H3/t19-,21-,22+,23+,24+,25-,27+,28+,29-,30+,31-,32-,35+,36-,37+,38+/m0/s1
C38H62O11694.89232100
10143488

5 of 16 defined stereocentres - 5/16 defined
InChI=1/C38H62O11/c1-19(15-22(40)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(48-32)17-47-20(2)39/h19,21-25,27-32,40,42-46H,9-18H2,1-8H3/t19-,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,35+,36-,37+,38+/m0/s1
C38H62O11694.89232100

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