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 7 results

Search term: LQKBJAKZKFBLIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19990593

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-;/m1./s1
C26H42NNaO4455.6057231900
28599743

Charge

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17?,18-,19?,20-,21?,22?,25+,26-;/m1./s1
C26H42NNaO4455.60576200
147103

Charge

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19?,20-,21?,22?,25+,26-;/m1./s1
C26H42NNaO4455.605754100
9526473

Charge

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16?,17?,18-,19+,20-,21+,22+,25+,26-;/m1./s1
C26H42NNaO4455.60571100
113630567

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-;/m0./s1
C26H42NNaO4455.60571100
114565951

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17+,18-,19+,20-,21+,22-,25+,26-;/m1./s1
C26H42NNaO4455.60571100
114816717

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19-,20-,21+,22+,25-,26+;/m1./s1
C26H42NNaO4455.60571100

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