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 12 results

Search term: XVVZJDDPRFFKTQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2965388

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3
C29H37NO6495.607185600
4589194

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18?,19-,20?,21?,22+,23+,24?,27-,28+,29?/m0/s1
C29H37NO6495.60724400
82965181

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21-,22+,23+,24+,27-,28-,29-/m0/s1
C29H37NO6495.60724300
114974226

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18?,19-,20?,21-,22+,23?,24+,27-,28+,29-/m0/s1
C29H37NO6495.60723300
115011211

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21-,22+,23+,24+,27-,28+,29+/m0/s1
C29H37NO6495.60723300
8611315

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17?,18-,19?,20-,21?,22-,23?,24?,27-,28-,29+/m1/s1
C29H37NO6495.60722100
22875036

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21-,22+,23+,24+,27-,28+,29-/m0/s1
C29H37NO6495.60722100
30655819

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18?,19-,20+,21-,22+,23+,24?,27-,28+,29-/m0/s1
C29H37NO6495.60721100
17466541

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18-,19+,20-,21+,22-,23-,24-,27+,28-,29+/m1/s1
C29H37NO6495.60721100
4364752

Charge

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/p+1
C29H38NO6496.615121100
123963160

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21?,22+,23+,24+,27-,28+,29+/m0/s1
C29H37NO6495.60721100
127383181

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18-,19-,20-,21-,22+,23+,24-,27-,28-,29-/m0/s1
C29H37NO6495.60721100

Advertisement