3,6-diamino-9-(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-2-[methyl(2-sulfoethyl)carbamoyl]phenyl)-4,5-disulfo-10??-xanthen-10-ylium

Formula: C28H25N4O15S3

SMILES: CN(CCS(O)(=O)=O)C(=O)C1=CC(=CC=C1C1=C2C=CC(N)=C(C2=[O+]C2=C(C(N)=CC=C12)S(O)(=O)=O)S(O)(=O)=O)C(=O)ON1C(=O)CCC1=O

IUPAC: 3,6-diamino-9-(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-2-[methyl(2-sulfoethyl)carbamoyl]phenyl)-4,5-disulfo-10??-xanthen-10-ylium

InChI: InChI=1S/C28H24N4O15S3/c1-31(10-11-48(37,38)39)27(35)17-12-13(28(36)47-32-20(33)8-9-21(32)34)2-3-14(17)22-15-4-6-18(29)25(49(40,41)42)23(15)46-24-16(22)5-7-19(30)26(24)50(43,44)45/h2-7,12H,8-11,29-30H2,1H3,(H2-,37,38,39,40,41,42,43,44,45)/p+1

Composition: C (44.62%), H (3.34%), N (7.43%), O (31.84%), S (12.76%)

Molar Mass: 753.7

Atom Count: 75

Heavy Atom Count: 50