9-[2-[5-(4-tert-butylphenyl)sulfanylpentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

Systemtic Name: 9-[2-[5-(4-tert-butylphenyl)sulfanylpentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol Openeye Name: 9-[2-[5-(4-tert-butylphenyl)sulfanylpentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol CAS Name: 9-[2-[5-[(4-tert-butylphenyl)thio]pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol IUPAC Name: 9-[2-[5-(4-tert-butylphenyl)sulfanylpentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol Traditional Name: 9-[2-[5-[(4-tert-butylphenyl)thio]pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzocyclohepten-2-ol Formula: C38H42O2S MolecularWeight: 562.80388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCCCCOC2=CC=CC=C2C3CCC(=CC4=C3C=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCCCCOC2=CC=CC=C2C3CCC(=CC4=C3C=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C38H42O2S/c1-38(2,3)31-18-21-33(22-19-31)41-25-11-5-10-24-40-37-15-9-8-14-35(37)34-23-17-29(28-12-6-4-7-13-28)26-30-16-20-32(39)27-36(30)34/h4,6-9,12-16,18-22,26-27,34,39H,5,10-11,17,23-25H2,1-3H3