bis((6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid) hydrate

CAS: 1374598-80-7

Formula: C58H66O15S2

SMILES: O.CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=C2)C(CC(O)=O)CO3)=CC=C1.CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=C2)C(CC(O)=O)CO3)=CC=C1

IUPAC: bis(2-(6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid) hydrate

InChI: InChI=1/2C29H32O7S.H2O/c2*1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24;/h2*4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31);1H2

Composition: C (65.27%), H (6.23%), O (22.49%), S (6.01%)

Molar Mass: 1067.27

Atom Count: 141

Heavy Atom Count: 75