2-[4-naphtho[3,2-b][1]benzothiol-11-yl-2-(3-phenylphenyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-naphtho[3,2-b][1]benzothiol-11-yl-2-(3-phenylphenyl)phenoxy]ethanoic acid Openeye Name: 2-[4-naphtho[3,2-b]benzothiophen-11-yl-2-(3-phenylphenyl)phenoxy]acetic acid CAS Name: 2-[4-(11-naphtho[3,2-b][1]benzothiolyl)-2-(3-phenylphenyl)phenoxy]acetic acid IUPAC Name: 2-[4-naphtho[3,2-b][1]benzothiol-11-yl-2-(3-phenylphenyl)phenoxy]acetic acid Traditional Name: 2-[4-naphtho[3,2-b]benzothiophen-11-yl-2-(3-phenylphenyl)phenoxy]acetic acid Formula: C36H24O3S MolecularWeight: 536.63896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C(C=CC(=C3)C4=C5C6=CC=CC=C6SC5=CC7=CC=CC=C74)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C(C=CC(=C3)C4=C5C6=CC=CC=C6SC5=CC7=CC=CC=C74)OCC(=O)O

InChI

InChI=1S/C36H24O3S/c37-34(38)22-39-31-18-17-27(20-30(31)25-13-8-12-24(19-25)23-9-2-1-3-10-23)35-28-14-5-4-11-26(28)21-33-36(35)29-15-6-7-16-32(29)40-33/h1-21H,22H2,(H,37,38)