(4-naphtho[3,2-b][1]benzothiol-11-ylphenoxy)methylphosphonic acid

Systemtic Name: (4-naphtho[3,2-b][1]benzothiol-11-ylphenoxy)methylphosphonic acid Openeye Name: (4-naphtho[3,2-b]benzothiophen-11-ylphenoxy)methylphosphonic acid CAS Name: [4-(11-naphtho[3,2-b][1]benzothiolyl)phenoxy]methylphosphonic acid IUPAC Name: (4-naphtho[3,2-b][1]benzothiol-11-ylphenoxy)methylphosphonic acid Traditional Name: (4-naphtho[3,2-b]benzothiophen-11-ylphenoxy)methylphosphonic acid Formula: C23H17O4PS MolecularWeight: 420.417441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=C2C4=CC=C(C=C4)OCP(=O)(O)O)C5=CC=CC=C5S3

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=C2C4=CC=C(C=C4)OCP(=O)(O)O)C5=CC=CC=C5S3

InChI

InChI=1S/C23H17O4PS/c24-28(25,26)14-27-17-11-9-15(10-12-17)22-18-6-2-1-5-16(18)13-21-23(22)19-7-3-4-8-20(19)29-21/h1-13H,14H2,(H2,24,25,26)