2-phenanthren-9-ylethanethioic S-acid

Systemtic Name: 2-phenanthren-9-ylethanethioic S-acid Openeye Name: 2-(9-phenanthryl)ethanethioic S-acid CAS Name: 2-(9-phenanthrenyl)ethanethioic S-acid IUPAC Name: 2-phenanthren-9-ylethanethioic S-acid Traditional Name: 2-(9-phenanthryl)thioacetic acid Formula: C16H12OS MolecularWeight: 252.33088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)CC(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)CC(=O)S

InChI

InChI=1S/C16H12OS/c17-16(18)10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H,10H2,(H,17,18)