2-(4-naphtho[3,2-b][1]benzothiol-11-yl-2,6-diphenyl-phenoxy)ethanoic acid

Systemtic Name: 2-(4-naphtho[3,2-b][1]benzothiol-11-yl-2,6-diphenyl-phenoxy)ethanoic acid Openeye Name: 2-(4-naphtho[3,2-b]benzothiophen-11-yl-2,6-diphenyl-phenoxy)acetic acid CAS Name: 2-[4-(11-naphtho[3,2-b][1]benzothiolyl)-2,6-diphenylphenoxy]acetic acid IUPAC Name: 2-(4-naphtho[3,2-b][1]benzothiol-11-yl-2,6-diphenylphenoxy)acetic acid Traditional Name: 2-(4-naphtho[3,2-b]benzothiophen-11-yl-2,6-diphenyl-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(=C2OCC(=O)O)C3=CC=CC=C3)C4=C5C6=CC=CC=C6SC5=CC7=CC=CC=C74

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2OCC(=O)O)C3=CC=CC=C3)C4=C5C6=CC=CC=C6SC5=CC7=CC=CC=C74

InChI

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