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: CMNKXIODMJNVJT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29789084

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C33H48ClNO9/c1-30(2,3)26(36)40-18-21-22(42-27(37)31(4,5)6)23(43-28(38)32(7,8)9)24(44-29(39)33(10,11)12)25(41-21)35-17-19-13-15-20(34)16-14-19/h13-17,21-25H,18H2,1-12H3/t21?,22?,23?,24?,25-/m1/s1
C33H48ClNO9638.18851100
30650524

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H48ClNO9/c1-30(2,3)26(36)40-18-21-22(42-27(37)31(4,5)6)23(43-28(38)32(7,8)9)24(44-29(39)33(10,11)12)25(41-21)35-17-19-13-15-20(34)16-14-19/h13-17,21-25H,18H2,1-12H3/b35-17+
C33H48ClNO9638.18851100
57426548

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H48ClNO9/c1-30(2,3)26(36)40-18-21-22(42-27(37)31(4,5)6)23(43-28(38)32(7,8)9)24(44-29(39)33(10,11)12)25(41-21)35-17-19-13-15-20(34)16-14-19/h13-17,21-25H,18H2,1-12H3/t21?,22-,23?,24?,25-/m1/s1
C33H48ClNO9638.18851100
111309107

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C33H48ClNO9/c1-30(2,3)26(36)40-18-21-22(42-27(37)31(4,5)6)23(43-28(38)32(7,8)9)24(44-29(39)33(10,11)12)25(41-21)35-17-19-13-15-20(34)16-14-19/h13-17,21-25H,18H2,1-12H3/b35-17+/t21?,22-,23-,24?,25-/m1/s1
C33H48ClNO9638.18851100
115041311

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C33H48ClNO9/c1-30(2,3)26(36)40-18-21-22(42-27(37)31(4,5)6)23(43-28(38)32(7,8)9)24(44-29(39)33(10,11)12)25(41-21)35-17-19-13-15-20(34)16-14-19/h13-17,21-25H,18H2,1-12H3/t21?,22-,23+,24?,25+/m0/s1
C33H48ClNO9638.18851100

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