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: C95H145N29O23S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28295994

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-21,28-31,46-47,52-53,60,62-74,78,107,125-127H,9-17,22-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
C95H145N29O23S2093.4133162100
114552375

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-20,28-31,46-47,52-53,60,62-74,78,125-127H,9-17,21-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
C95H145N29O23S2093.41331100
118210191

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-7,18-21,28-31,46-47,53,60,62-74,78,125-127H,8-17,22-27,32-45,48-52,96-99H2,1-3H3,(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
C95H145N29O23S2093.41331100

Advertisement