3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl benzenesulfinate

Systemtic Name: 3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl benzenesulfinate Openeye Name: 3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl benzenesulfinate CAS Name: benzenesulfinic acid 3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl benzenesulfinate Traditional Name: benzenesulfinic acid 3-[2-(5-phenylpent-4-ynyl)phenyl]prop-2-ynyl ester Formula: C26H22O2S MolecularWeight: 398.51668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCCC2=CC=CC=C2C#CCOS(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CCCCC2=CC=CC=C2C#CCOS(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22O2S/c27-29(26-20-8-3-9-21-26)28-22-12-19-25-18-11-10-17-24(25)16-7-2-6-15-23-13-4-1-5-14-23/h1,3-5,8-11,13-14,17-18,20-21H,2,7,16,22H2