structure of 3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, methyl ester, (3S)-

3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, methyl ester, (3S)-

CAS No.: 1000414-34-5
M. Wt: 538.65200
M. Fa: C30H34O7S
InChI Key: UBOMIQKYZRJYQV-UHFFFAOYSA-N

Names and Identifiers of 1000414-34-5

CAS Number

1000414-34-5

IUPAC Name

methyl 2-[6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

InChI

InChI=1S/C30H34O7S/c1-20-13-26(35-11-6-12-38(4,32)33)14-21(2)30(20)23-8-5-7-22(15-23)18-36-25-9-10-27-24(16-29(31)34-3)19-37-28(27)17-25/h5,7-10,13-15,17,24H,6,11-12,16,18-19H2,1-4H3

InChIKey

UBOMIQKYZRJYQV-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)OC)C)OCCCS(=O)(=O)C

Physical and chemical properties of 1000414-34-5

Exact Mass

538.20300

LogP

6.48280

Molecular Formula

C30H34O7S

Molecular Weight

538.65200

PSA

96.51000