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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC=C2)C(=CCOC3=C(C=C(C=C3)CC(=O)O)Cl)C4=CC=C(C=C4)C5=CSC=C5

Isomeric SMILES

C1=CC(=CC=C1C2=CSC=C2)C(=CCOC3=C(C=C(C=C3)CC(=O)O)Cl)C4=CC=C(C=C4)C5=CSC=C5

InChI

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