9-{4-[(6-azidohexyl)carbamoyl]-2-carboxyphenyl}-3,6-bis(dimethylamino)-10??-xanthen-10-ylium

CAS: 1006592-61-5

Formula: C31H35N6O4

SMILES: CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC=C(C=C3C(O)=O)C(=O)NCCCCCCN=[N+]=[N-])=C2C=C1)N(C)C

IUPAC: 9-{4-[(6-azidohexyl)carbamoyl]-2-carboxyphenyl}-3,6-bis(dimethylamino)-10??-xanthen-10-ylium

InChI: InChI=1S/C31H34N6O4/c1-36(2)21-10-13-24-27(18-21)41-28-19-22(37(3)4)11-14-25(28)29(24)23-12-9-20(17-26(23)31(39)40)30(38)33-15-7-5-6-8-16-34-35-32/h9-14,17-19H,5-8,15-16H2,1-4H3,(H-,33,38,39,40)/p+1

Composition: C (67.01%), H (6.35%), N (15.12%), O (11.52%)

Molar Mass: 555.658

Atom Count: 76

Heavy Atom Count: 41