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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCC1=C(C2=C(COC2=O)C(=C1OC)C)O)C(C3CCCCSC3)C(=O)O

Isomeric SMILES

CCCC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)O)/C(C3CCCCSC3)C(=O)O

InChI

InChI=1S/C25H34O6S/c1-4-5-8-16(20(24(27)28)17-9-6-7-12-32-14-17)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-