benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene

Systemtic Name: benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene Openeye Name: benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene CAS Name: benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene IUPAC Name: benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene Traditional Name: benzenethiol; bicyclo[4.2.0]octa-1,3,5-triene Formula: C14H14S MolecularWeight: 214.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C21.C1=CC=C(C=C1)S

Isomeric SMILES

C1CC2=CC=CC=C21.C1=CC=C(C=C1)S

InChI

InChI=1S/C8H8.C6H6S/c1-2-4-8-6-5-7(8)3-1;7-6-4-2-1-3-5-6/h1-4H,5-6H2;1-5,7H