Catalog Number:
AG00AP9L
Chemical Name:
6-ROX
CAS Number:
194785-18-7
Molecular Formula:
C33H30N2O5
Molecular Weight:
534.6017
MDL Number:
MFCD08705674
IUPAC Name:
4-carboxy-3-(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)benzoate
InChI:
InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(33(38)39)24(17-20)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)
InChI Key:
WQZIDRAQTRIQDX-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc(cc1c1c2cc3CCCN4c3c(c2[o+]c2c1cc1CCCN3c1c2CCC3)CCC4)C(=O)O
