2-[(5E)-4-oxidanylidene-5-(1-phenyloctadecylidene)-2-sulfanylidene-thiolan-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-(1-phenyloctadecylidene)-2-sulfanylidene-thiolan-3-yl]ethanoic acid Openeye Name: 2-[(5E)-4-oxo-5-(1-phenyloctadecylidene)-2-thioxo-tetrahydrothiophen-3-yl]acetic acid CAS Name: 2-[(5E)-4-oxo-5-(1-phenyloctadecylidene)-2-sulfanylidene-3-thiolanyl]acetic acid IUPAC Name: 2-[(5E)-4-oxo-5-(1-phenyloctadecylidene)-2-sulfanylidenethiolan-3-yl]acetic acid Traditional Name: 2-[(5E)-4-keto-5-(1-phenyloctadecylidene)-2-thioxo-tetrahydrothiophen-3-yl]acetic acid Formula: C30H44O3S2 MolecularWeight: 516.79856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=C1C(=O)C(C(=S)S1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C(=C\1/C(=O)C(C(=S)S1)CC(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C30H44O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(24-20-17-16-18-21-24)29-28(33)26(23-27(31)32)30(34)35-29/h16-18,20-21,26H,2-15,19,22-23H2,1H3,(H,31,32)/b29-25+