2-[4-[3,5-di(propan-2-yl)-2-propoxy-phenyl]-1-benzothiophen-2-yl]prop-2-enoic acid

Systemtic Name: 2-[4-[3,5-di(propan-2-yl)-2-propoxy-phenyl]-1-benzothiophen-2-yl]prop-2-enoic acid Openeye Name: 2-[4-(3,5-diisopropyl-2-propoxy-phenyl)benzothiophen-2-yl]prop-2-enoic acid CAS Name: 2-[4-[3,5-di(propan-2-yl)-2-propoxyphenyl]-1-benzothiophen-2-yl]-2-propenoic acid IUPAC Name: 2-[4-[3,5-di(propan-2-yl)-2-propoxyphenyl]-1-benzothiophen-2-yl]prop-2-enoic acid Traditional Name: 2-[4-(3,5-diisopropyl-2-propoxy-phenyl)benzothiophen-2-yl]acrylic acid Formula: C26H30O3S MolecularWeight: 422.5796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)C(=C)C(=O)O)C(C)C)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)C(=C)C(=O)O)C(C)C)C(C)C

InChI

InChI=1S/C26H30O3S/c1-7-11-29-25-20(16(4)5)12-18(15(2)3)13-22(25)19-9-8-10-23-21(19)14-24(30-23)17(6)26(27)28/h8-10,12-16H,6-7,11H2,1-5H3,(H,27,28)