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: XOSLDLHSPLPVME (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
314588

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H80N8O12/c1-17-29(7)41-46(65)52-25-38(59)56(13)36(23-27(3)4)44(63)51-26-39(60)58(15)40(28(5)6)47(66)57(14)37(24-33-19-21-34(69-16)22-20-33)45(64)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(18-2)30(8)48(67)70-41/h19-22,27-32,35-37,40-41H,17-18,23-26H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,62)/t29-,30-,31-,32-,35+,36-,37-,40-,41-/m0/s1
C50H80N8O12985.216612700
10353230

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H80N8O12/c1-17-29(7)41-46(65)52-25-38(59)56(13)36(23-27(3)4)44(63)51-26-39(60)58(15)40(28(5)6)47(66)57(14)37(24-33-19-21-34(69-16)22-20-33)45(64)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(18-2)30(8)48(67)70-41/h19-22,27-32,35-37,40-41H,17-18,23-26H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,62)/t29-,30-,31+,32-,35+,36-,37-,40-,41-/m0/s1
C50H80N8O12985.21662200
10474984

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C50H80N8O12/c1-17-29(7)41-46(65)52-25-38(59)56(13)36(23-27(3)4)44(63)51-26-39(60)58(15)40(28(5)6)47(66)57(14)37(24-33-19-21-34(69-16)22-20-33)45(64)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(18-2)30(8)48(67)70-41/h19-22,27-32,35-37,40-41H,17-18,23-26H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,62)
C50H80N8O12985.21662200

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