2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]ethanoate

Systemtic Name: 2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]ethanoate Openeye Name: 2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]acetate CAS Name: 2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylthio]acetate IUPAC Name: 2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]acetate Traditional Name: 2-[5-[4-(6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)phenoxy]pentylthio]acetate Formula: C30H31O3S- MolecularWeight: 471.63034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=C(C1)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCSCC(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2C(=C(C1)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCSCC(=O)[O-]

InChI

InChI=1S/C30H32O3S/c31-29(32)22-34-21-8-2-7-20-33-26-18-16-25(17-19-26)30-27-14-6-5-12-24(27)13-9-15-28(30)23-10-3-1-4-11-23/h1,3-6,10-12,14,16-19H,2,7-9,13,15,20-22H2,(H,31,32)/p-1