Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Procion orange MX2R 73816-75-8 9576113
Structure Other Information
Canonical SMILES CN(C1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)C5=NC(=NC(=N5)Cl)Cl
Iso SMILES CN(C1=CC2=C(C=C1)C(=O)/C(=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)/C(=C2)S(=O)(=O)O)C5=NC(=NC(=N5)Cl)Cl
InChI InChI=1S/C24H16Cl2N6O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,30H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/b31-19-
InChI Key UPHNGMSCDOTQBR-DXJNIWACSA-N
Formula C24H16Cl2N6O10S3
Mol Weight 715.519
XlogP3 3.9
Charge 0

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Synonyms Information
CAS Name 2-[(2E)-2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonic acid
IUPAC Name 2-[(2E)-2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methyl-amino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid
Openeye Name 2-[(2E)-2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid
Systematic Name 2-[(2E)-2-[6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]-methyl-amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid
Tratitional Name 2-[(2E)-2-[6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]-methyl-amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid