carbonic acid; [4-(4-ethoxyphenyl)phenyl]-(3-phenylsulfanylcyclopentyl)methanone

Systemtic Name: carbonic acid; [4-(4-ethoxyphenyl)phenyl]-(3-phenylsulfanylcyclopentyl)methanone Openeye Name: carbonic acid; [4-(4-ethoxyphenyl)phenyl]-(3-phenylsulfanylcyclopentyl)methanone CAS Name: carbonic acid; [4-(4-ethoxyphenyl)phenyl]-[3-(phenylthio)cyclopentyl]methanone IUPAC Name: carbonic acid; [4-(4-ethoxyphenyl)phenyl]-(3-phenylsulfanylcyclopentyl)methanone Traditional Name: carbonic acid; [3-(phenylthio)cyclopentyl]-(4-p-phenetylphenyl)methanone Formula: C27H28O5S MolecularWeight: 464.57322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3CCC(C3)SC4=CC=CC=C4.C(=O)(O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3CCC(C3)SC4=CC=CC=C4.C(=O)(O)O

InChI

InChI=1S/C26H26O2S.CH2O3/c1-2-28-23-15-12-20(13-16-23)19-8-10-21(11-9-19)26(27)22-14-17-25(18-22)29-24-6-4-3-5-7-24;2-1(3)4/h3-13,15-16,22,25H,2,14,17-18H2,1H3;(H2,2,3,4)