benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol

Systemtic Name: benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol Openeye Name: benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol CAS Name: benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol IUPAC Name: benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol Traditional Name: benzene-1,4-dithiol; 2-phenylbenzenethiol; 3-phenylbenzenethiol Formula: C30H26S4 MolecularWeight: 514.78744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)S.C1=CC=C(C=C1)C2=CC=CC=C2S.C1=CC(=CC=C1S)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)S.C1=CC=C(C=C1)C2=CC=CC=C2S.C1=CC(=CC=C1S)S

InChI

InChI=1S/2C12H10S.C6H6S2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;7-5-1-2-6(8)4-3-5/h2*1-9,13H;1-4,7-8H