MF: C36H38N4O11S3
MW: 798.9g/mol
IUPAC Name: diazanium;5-hexylsulfonyl-2-[[14-methyl-8,15-dioxo-16-(3-sulfonatobenzoyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzenesulfonate
Isomeric SMILES: CCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C(=C4C5=CC=CC=C5C3=O)C(=O)C6=CC(=CC=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[NH4+].[NH4+]
InChIKey: UFSGGQJLCYDOQD-UHFFFAOYSA-N
InChI: InChI=1S/C36H32N2O11S3.2H3N/c1-3-4-5-8-18-50(42,43)22-14-15-26(29(20-22)52(47,48)49)37-27-16-17-28-32-30(24-12-6-7-13-25(24)35(40)31(27)32)33(36(41)38(28)2)34(39)21-10-9-11-23(19-21)51(44,45)46;;/h6-7,9-17,19-20,37H,3-5,8,18H2,1-2H3,(H,44,45,46)(H,47,48,49);2*1H3
