7,7,7-tris(4-phenylphenyl)heptane-1-thiol

Systemtic Name: 7,7,7-tris(4-phenylphenyl)heptane-1-thiol Openeye Name: 7,7,7-tris(4-phenylphenyl)heptane-1-thiol CAS Name: 7,7,7-tris(4-phenylphenyl)-1-heptanethiol IUPAC Name: 7,7,7-tris(4-phenylphenyl)heptane-1-thiol Traditional Name: 7,7,7-tris(4-phenylphenyl)heptane-1-thiol Formula: C43H40S MolecularWeight: 588.8427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCCCCCS)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCCCCCS)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C43H40S/c44-33-13-2-1-12-32-43(40-26-20-37(21-27-40)34-14-6-3-7-15-34,41-28-22-38(23-29-41)35-16-8-4-9-17-35)42-30-24-39(25-31-42)36-18-10-5-11-19-36/h3-11,14-31,44H,1-2,12-13,32-33H2