[2-(1-sulfanyldec-2-ynyl)phenyl] ethanoate; [2-(1-sulfanylnon-2-ynyl)phenyl] ethanoate

Systemtic Name: [2-(1-sulfanyldec-2-ynyl)phenyl] ethanoate; [2-(1-sulfanylnon-2-ynyl)phenyl] ethanoate Openeye Name: [2-(1-sulfanyldec-2-ynyl)phenyl] acetate; [2-(1-sulfanylnon-2-ynyl)phenyl] acetate CAS Name: acetic acid [2-(1-mercaptodec-2-ynyl)phenyl] ester; acetic acid [2-(1-mercaptonon-2-ynyl)phenyl] ester IUPAC Name: [2-(1-sulfanyldec-2-ynyl)phenyl] acetate; [2-(1-sulfanylnon-2-ynyl)phenyl] acetate Traditional Name: acetic acid [2-(1-mercaptodec-2-ynyl)phenyl] ester; acetic acid [2-(1-mercaptonon-2-ynyl)phenyl] ester Formula: C35H46O4S2 MolecularWeight: 594.86734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C1=CC=CC=C1OC(=O)C)S.CCCCCCC#CC(C1=CC=CC=C1OC(=O)C)S

Isomeric SMILES

CCCCCCCC#CC(C1=CC=CC=C1OC(=O)C)S.CCCCCCC#CC(C1=CC=CC=C1OC(=O)C)S

InChI

InChI=1S/C18H24O2S.C17H22O2S/c1-3-4-5-6-7-8-9-14-18(21)16-12-10-11-13-17(16)20-15(2)19;1-3-4-5-6-7-8-13-17(20)15-11-9-10-12-16(15)19-14(2)18/h10-13,18,21H,3-8H2,1-2H3;9-12,17,20H,3-7H2,1-2H3