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

Systemtic Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-chlorophenyl]acetic acid Traditional Name: 2-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-3-chloro-phenyl]acetic acid Formula: C31H23ClO3S2 MolecularWeight: 543.09552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H23ClO3S2/c32-27-19-21(20-31(33)34)5-14-28(27)35-16-15-26(22-6-10-24(11-7-22)29-3-1-17-36-29)23-8-12-25(13-9-23)30-4-2-18-37-30/h1-15,17-19H,16,20H2,(H,33,34)