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 4 results

Search term: PRYIVLXRWBBBJH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8029066

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26-,27?,28?,29-,30-,31-/m0/s1
C31H30N6O7S4726.86592100
8548178

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26+,27?,28?,29+,30-,31-/m0/s1
C31H30N6O7S4726.86592100
8756145

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26-,27+,28+,29-,30-,31-/m0/s1
C31H30N6O7S4726.86592100
24720604

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26+,27+,28+,29-,30-,31-/m0/s1
C31H30N6O7S4726.86592200

Advertisement