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: AIEXLLMNIOXBIG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58145752

54 of 55 defined stereocentres - 54/55 defined
InChI=1/C74H124N4O56/c1-16(89)75-31-42(100)55(26(11-85)115-64(31)113)126-65-32(76-17(2)90)43(101)58(27(12-86)122-65)129-72-54(112)61(132-74-63(49(107)38(96)23(8-82)121-74)134-67-34(78-19(4)92)45(103)57(29(14-88)124-67)128-71-53(111)60(40(98)25(10-84)119-71)131-69-51(109)47(105)36(94)21(6-80)117-69)41(99)30(125-72)15-114-73-62(48(106)37(95)22(7-81)120-73)133-66-33(77-18(3)91)44(102)56(28(13-87)123-66)127-70-52(110)59(39(97)24(9-83)118-70)130-68-50(108)46(104)35(93)20(5-79)116-68/h20-74,79-88,93-113H,5-15H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64?,65+,66+,67+,68-,69-,70+,71+,72+,73+,74-/m1/s1
C74H124N4O561965.76962300
128434114

55 of 55 defined stereocentres - 55/55 defined
InChI=1/C74H124N4O56/c1-16(89)75-31-42(100)55(26(11-85)115-64(31)113)126-65-32(76-17(2)90)43(101)58(27(12-86)122-65)129-72-54(112)61(132-74-63(49(107)38(96)23(8-82)121-74)134-67-34(78-19(4)92)45(103)57(29(14-88)124-67)128-71-53(111)60(40(98)25(10-84)119-71)131-69-51(109)47(105)36(94)21(6-80)117-69)41(99)30(125-72)15-114-73-62(48(106)37(95)22(7-81)120-73)133-66-33(77-18(3)91)44(102)56(28(13-87)123-66)127-70-52(110)59(39(97)24(9-83)118-70)130-68-50(108)46(104)35(93)20(5-79)116-68/h20-74,79-88,93-113H,5-15H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69-,70+,71+,72+,73+,74-/m1/s1
C74H124N4O561965.76962200
28533203

55 of 55 defined stereocentres - 55/55 defined
InChI=1/C74H124N4O56/c1-16(89)75-31-42(100)55(26(11-85)115-64(31)113)126-65-32(76-17(2)90)43(101)58(27(12-86)122-65)129-72-54(112)61(132-74-63(49(107)38(96)23(8-82)121-74)134-67-34(78-19(4)92)45(103)57(29(14-88)124-67)128-71-53(111)60(40(98)25(10-84)119-71)131-69-51(109)47(105)36(94)21(6-80)117-69)41(99)30(125-72)15-114-73-62(48(106)37(95)22(7-81)120-73)133-66-33(77-18(3)91)44(102)56(28(13-87)123-66)127-70-52(110)59(39(97)24(9-83)118-70)130-68-50(108)46(104)35(93)20(5-79)116-68/h20-74,79-88,93-113H,5-15H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69-,70+,71+,72+,73-,74+/m1/s1
C74H124N4O561965.76961200

Advertisement