Name: Name:Methanesulfonic acid, 1,1,1-trifluoro-, 6'-(ethylamino)-7'-methyl-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3'-yl ester
Brand: Angene
SKU: AG00IM8K
Rating: 90 (10 reviews)

Methanesulfonic acid, 1,1,1-trifluoro-, 6'-(ethylamino)-7'-methyl-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3'-yl ester

CAS No.:

1403936-34-4

Catalog Number:

AG00IM8K

Molecular Formula:

C24H18F3NO6S

Molecular Weight:

505.4630

Catalog Number:

AG00IM8K

Chemical Name:

Methanesulfonic acid, 1,1,1-trifluoro-, 6'-(ethylamino)-7'-methyl-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3'-yl ester

CAS Number:

1403936-34-4

Molecular Formula:

C24H18F3NO6S

Molecular Weight:

505.4630

MDL Number:

MFCD31630856

IUPAC Name:

[6'-(ethylamino)-7'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate

InChI:

InChI=1S/C24H18F3NO6S/c1-3-28-19-12-21-18(10-13(19)2)23(16-7-5-4-6-15(16)22(29)33-23)17-9-8-14(11-20(17)32-21)34-35(30,31)24(25,26)27/h4-12,28H,3H2,1-2H3

InChI Key:

BJMPBNRXXHZEBS-UHFFFAOYSA-N

SMILES:

CCNc1cc2Oc3cc(ccc3C3(c2cc1C)OC(=O)c1c3cccc1)OS(=O)(=O)C(F)(F)F

Complexity:

923

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

505.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

505.464g/mol

Monoisotopic Mass:

505.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6