2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylide
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Product Description
Product
2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylide
CAS
83803-40-1
Formula
C32H31IN4O3; C32H31N4O3.I
Typical Product Specifications
Molecular weight
646.52
EINECS
280-857-7
SMILES
Cc1ccc2c(c1)oc([n+]2C)/C=C(/C=C/3\N(c4ccc(cc4O3)C)C)\c5c(n(n(c5=O)c6ccccc6)C)C.[I-]
InChI
GPVYQDNKNPIAPF-UHFFFAOYSA-M
InChIKey
1S/C32H31N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19H,1-6H3;1H/q+1;/p-1
Class
2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylide
Product Description
Product
2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylide
CAS
83803-40-1
Formula
C32H31IN4O3; C32H31N4O3.I
Typical Product Specifications
Molecular weight
646.52
EINECS
280-857-7
SMILES
Cc1ccc2c(c1)oc([n+]2C)/C=C(/C=C/3\N(c4ccc(cc4O3)C)C)\c5c(n(n(c5=O)c6ccccc6)C)C.[I-]
InChI
GPVYQDNKNPIAPF-UHFFFAOYSA-M
InChIKey
1S/C32H31N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19H,1-6H3;1H/q+1;/p-1
Class
