9-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(6-oxidanylhex-1-ynyl)phenoxy]nonanoic acid

Systemtic Name: 9-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(6-oxidanylhex-1-ynyl)phenoxy]nonanoic acid Openeye Name: 9-[3-(6-hydroxyhex-1-ynyl)-2-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenoxy]nonanoic acid CAS Name: 9-[3-(6-hydroxyhex-1-ynyl)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]nonanoic acid IUPAC Name: 9-[3-(6-hydroxyhex-1-ynyl)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]nonanoic acid Traditional Name: 9-[3-(6-hydroxyhex-1-ynyl)-2-[(E)-3-keto-3-methoxy-prop-1-enyl]phenoxy]pelargonic acid Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC=C1OCCCCCCCCC(=O)O)C#CCCCCO

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC=C1OCCCCCCCCC(=O)O)C#CCCCCO

InChI

InChI=1S/C25H34O6/c1-30-25(29)18-17-22-21(13-8-5-6-10-19-26)14-12-15-23(22)31-20-11-7-3-2-4-9-16-24(27)28/h12,14-15,17-18,26H,2-7,9-11,16,19-20H2,1H3,(H,27,28)/b18-17+