2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-2-chloranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-2-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-2-chloro-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-2-chlorophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-2-chlorophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-2-chloro-phenoxy]acetic acid Formula: C31H23ClO4S2 MolecularWeight: 559.09492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(C=C2)C(=CCOC3=CC(=C(C=C3)OCC(=O)O)Cl)C4=CC=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(C=C2)C(=CCOC3=CC(=C(C=C3)OCC(=O)O)Cl)C4=CC=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C31H23ClO4S2/c32-27-19-25(13-14-28(27)36-20-31(33)34)35-16-15-26(21-5-9-23(10-6-21)29-3-1-17-37-29)22-7-11-24(12-8-22)30-4-2-18-38-30/h1-15,17-19H,16,20H2,(H,33,34)