Catalog Number:
AG005WKN
Chemical Name:
1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, perchlorate (1:1)
CAS Number:
72102-91-1
Molecular Formula:
C32H31ClN2O7
Molecular Weight:
591.0507
MDL Number:
MFCD00799440
IUPAC Name:
2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid;perchlorate
InChI:
InChI=1S/C32H30N2O3.ClHO4/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)
InChI Key:
DJWWHVKRLDNDJK-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.OC(=O)c1ccccc1c1c2cc3CCCN4c3c(c2[o+]c2c1cc1CCCN3c1c2CCC3)CCC4
EC Number:
276-345-8
