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 11 results

Search term: YNEPXUIPALKHAU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
137022

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3
C28H31ClO10562.9927111200
30812266

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14+,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1
C28H31ClO10562.99273300
28505013

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14?,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1
C28H31ClO10562.992742200
127383249

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27+,28-/m0/s1
C28H31ClO10562.99272200
129178431

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13?,14-,16?,17+,18-,22+,23-,24-,25?,26+,27+,28-/m0/s1
C28H31ClO10562.99271100
129237100

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26-,27-,28-/m0/s1
C28H31ClO10562.99271100
103883514

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13-,14+,16-,17-,18-,22+,23-,24-,25+,26+,27-,28+/m1/s1
C28H31ClO10562.99271100
114545056

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16?,17?,18-,22+,23-,24-,25?,26+,27+,28-/m0/s1
C28H31ClO10562.99271100
115015703

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27-,28-/m0/s1
C28H31ClO10562.99271100
115284857

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27?,28-/m0/s1
C28H31ClO10562.99271100

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