hexadecyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]ethanoate

Systemtic Name: hexadecyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]ethanoate Openeye Name: hexadecyl 2-[3-(4-thioxochromen-2-yl)phenyl]acetate CAS Name: 2-[3-(4-sulfanylidene-1-benzopyran-2-yl)phenyl]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]acetate Traditional Name: 2-[3-(4-thioxochromen-2-yl)phenyl]acetic acid cetyl ester Formula: C33H44O3S MolecularWeight: 520.76566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

InChI

InChI=1S/C33H44O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-35-33(34)25-27-19-18-20-28(24-27)31-26-32(37)29-21-15-16-22-30(29)36-31/h15-16,18-22,24,26H,2-14,17,23,25H2,1H3