2-[(4Z)-4-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid

Systemtic Name: 2-[(4Z)-4-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid Openeye Name: 2-[(4Z)-4-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid CAS Name: 2-[(4Z)-4-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-3-thiepanyl]heptanoic acid IUPAC Name: 2-[(4Z)-4-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid Traditional Name: 2-[(4Z)-4-[2-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]thiepan-3-yl]enanthic acid Formula: C25H34O6S MolecularWeight: 462.59886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CSCCCC1=CCC2=C(C3=C(COC3=O)C(=C2OC)C)O)C(=O)O

Isomeric SMILES

CCCCCC(C\1CSCCC/C1=C/CC2=C(C3=C(COC3=O)C(=C2OC)C)O)C(=O)O

InChI

InChI=1S/C25H34O6S/c1-4-5-6-9-17(24(27)28)20-14-32-12-7-8-16(20)10-11-18-22(26)21-19(13-31-25(21)29)15(2)23(18)30-3/h10,17,20,26H,4-9,11-14H2,1-3H3,(H,27,28)/b16-10-