Catalog Number:
AG01F2F7
Chemical Name:
Tetrasodium 4-(3-{4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl}-5-oxo-5-(4-sulfonatophenyl)pentanoyl)benzene-1-sulfonate
CAS Number:
460051-49-4
Molecular Formula:
C40H30Na4O16S4
Molecular Weight:
986.8757
MDL Number:
MFCD00961444
IUPAC Name:
tetrasodium;4-[3-[4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl]-5-oxo-5-(4-sulfonatophenyl)pentanoyl]benzenesulfonate
InChI:
InChI=1S/C40H34O16S4.4Na/c41-37(27-5-13-33(14-6-27)57(45,46)47)21-31(22-38(42)28-7-15-34(16-8-28)58(48,49)50)25-1-2-26(4-3-25)32(23-39(43)29-9-17-35(18-10-29)59(51,52)53)24-40(44)30-11-19-36(20-12-30)60(54,55)56;;;;/h1-20,31-32H,21-24H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4
InChI Key:
YCRXMVZUKOXOBV-UHFFFAOYSA-J
SMILES:
O=C(c1ccc(cc1)S(=O)(=O)[O-])CC(c1ccc(cc1)C(CC(=O)c1ccc(cc1)S(=O)(=O)[O-])CC(=O)c1ccc(cc1)S(=O)(=O)[O-])CC(=O)c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
