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

Systemtic Name: 2-[(4Z)-4-[2-(7-methyl-4-oxidanyl-3-oxidanylidene-6-propa-1,2-dienyl-1H-2-benzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid Openeye Name: 2-[(4Z)-4-[2-(4-hydroxy-7-methyl-3-oxo-6-propa-1,2-dienyl-1H-isobenzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid CAS Name: 2-[(4Z)-4-[2-(4-hydroxy-7-methyl-3-oxo-6-propa-1,2-dienyl-1H-isobenzofuran-5-yl)ethylidene]-3-thiepanyl]heptanoic acid IUPAC Name: 2-[(4Z)-4-[2-(4-hydroxy-7-methyl-3-oxo-6-propa-1,2-dienyl-1H-2-benzofuran-5-yl)ethylidene]thiepan-3-yl]heptanoic acid Traditional Name: 2-[(4Z)-4-[2-(4-hydroxy-3-keto-7-methyl-6-propa-1,2-dienyl-phthalan-5-yl)ethylidene]thiepan-3-yl]enanthic acid Formula: C27H34O5S MolecularWeight: 470.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CSCCCC1=CCC2=C(C3=C(COC3=O)C(=C2C=C=C)C)O)C(=O)O

Isomeric SMILES

CCCCCC(C\1CSCCC/C1=C/CC2=C(C3=C(COC3=O)C(=C2C=C=C)C)O)C(=O)O

InChI

InChI=1S/C27H34O5S/c1-4-6-7-11-21(26(29)30)23-16-33-14-8-10-18(23)12-13-20-19(9-5-2)17(3)22-15-32-27(31)24(22)25(20)28/h9,12,21,23,28H,2,4,6-8,10-11,13-16H2,1,3H3,(H,29,30)/b18-12-