3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-[4-(phenylsulfinyl)butoxy]phenyl]propanoic acid

Systemtic Name: 3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-[4-(phenylsulfinyl)butoxy]phenyl]propanoic acid Openeye Name: 3-[2-[4-(benzenesulfinyl)butoxy]-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-[4-(benzenesulfinyl)butoxy]-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-[4-(benzenesulfinyl)butoxy]-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-[4-(benzenesulfinyl)butoxy]-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C29H30O7S MolecularWeight: 522.6093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OCCCCS(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OCCCCS(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C29H30O7S/c1-2-35-29(33)24-10-8-9-22(20-24)28(32)23-13-15-26(21(19-23)14-16-27(30)31)36-17-6-7-18-37(34)25-11-4-3-5-12-25/h3-5,8-13,15,19-20H,2,6-7,14,16-18H2,1H3,(H,30,31)