Catalog Number:
AG01EZAJ
Chemical Name:
5,6,8,9-Tetrahydro-7-(4-methoxy-3-sulfophenyl)-dibenzo[c,h]xanthylium perchlorate
CAS Number:
92445-27-7
Molecular Formula:
C28H23ClO9S
Molecular Weight:
570.9948
MDL Number:
MFCD00959860
IUPAC Name:
2-methoxy-5-(2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaen-13-yl)benzenesulfonic acid;perchlorate
InChI:
InChI=1S/C28H22O5S.ClHO4/c1-32-24-15-12-19(16-25(24)34(29,30)31)26-22-13-10-17-6-2-4-8-20(17)27(22)33-28-21-9-5-3-7-18(21)11-14-23(26)28;2-1(3,4)5/h2-9,12,15-16H,10-11,13-14H2,1H3;(H,2,3,4,5)
InChI Key:
XVXDXXBEZOTSDZ-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1S(=O)(=O)O)c1c2CCc3c(c2[o+]c2c1CCc1c2cccc1)cccc3
