4-[5-[4-(1,3-dioxolan-2-yl)phenyl]-7-phenyl-octan-3-yl]benzenesulfonic acid

Systemtic Name: 4-[5-[4-(1,3-dioxolan-2-yl)phenyl]-7-phenyl-octan-3-yl]benzenesulfonic acid Openeye Name: 4-[3-[4-(1,3-dioxolan-2-yl)phenyl]-1-ethyl-5-phenyl-hexyl]benzenesulfonic acid CAS Name: 4-[5-[4-(1,3-dioxolan-2-yl)phenyl]-7-phenyloctan-3-yl]benzenesulfonic acid IUPAC Name: 4-[5-[4-(1,3-dioxolan-2-yl)phenyl]-7-phenyloctan-3-yl]benzenesulfonic acid Traditional Name: 4-[3-[4-(1,3-dioxolan-2-yl)phenyl]-1-ethyl-5-phenyl-hexyl]besylic acid Formula: C29H34O5S MolecularWeight: 494.64226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C3OCCO3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CCC(CC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C3OCCO3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C29H34O5S/c1-3-22(24-13-15-28(16-14-24)35(30,31)32)20-27(19-21(2)23-7-5-4-6-8-23)25-9-11-26(12-10-25)29-33-17-18-34-29/h4-16,21-22,27,29H,3,17-20H2,1-2H3,(H,30,31,32)