1,2-dihydrobenzo[j]aceanthrylene-4-thiol

Systemtic Name: 1,2-dihydrobenzo[j]aceanthrylene-4-thiol Openeye Name: 1,2-dihydrobenzo[j]aceanthrylene-4-thiol CAS Name: 1,2-dihydrobenzo[j]aceanthrylene-4-thiol IUPAC Name: 1,2-dihydrobenzo[j]aceanthrylene-4-thiol Traditional Name: cholanthrene-4-thiol Formula: C20H14S MolecularWeight: 286.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C1=CC(=CC3=CC4=C2C=CC5=CC=CC=C54)S

Isomeric SMILES

C1CC2=C3C1=CC(=CC3=CC4=C2C=CC5=CC=CC=C54)S

InChI

InChI=1S/C20H14S/c21-15-9-13-6-8-18-17-7-5-12-3-1-2-4-16(12)19(17)11-14(10-15)20(13)18/h1-5,7,9-11,21H,6,8H2