1-[(6-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonic acid

CAS: 1400302-73-9

Formula: C25H22N2O8S

SMILES: OS(=O)(=O)C1CC(=O)N(OC(=O)CCCCC(=O)N2CC3=C(C=CC=C3)C#CC3=C2C=CC=C3)C1=O

IUPAC: 1-[(6-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonic acid

InChI: InChI=1/C25H22N2O8S/c28-22(11-5-6-12-24(30)35-27-23(29)15-21(25(27)31)36(32,33)34)26-16-19-9-2-1-7-17(19)13-14-18-8-3-4-10-20(18)26/h1-4,7-10,21H,5-6,11-12,15-16H2,(H,32,33,34)

Composition: C (58.82%), H (4.34%), N (5.49%), O (25.07%), S (6.28%)

Molar Mass: 510.52

Atom Count: 58

Heavy Atom Count: 36