3-methoxy-4-[[2-oxidanylidene-4-[(E)-2-phenylethenyl]-8-propyl-chromen-7-yl]oxymethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[2-oxidanylidene-4-[(E)-2-phenylethenyl]-8-propyl-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 3-methoxy-4-[[2-oxo-8-propyl-4-[(E)-styryl]chromen-7-yl]oxymethyl]benzoic acid CAS Name: 3-methoxy-4-[[2-oxo-4-[(E)-2-phenylethenyl]-8-propyl-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 3-methoxy-4-[[2-oxo-4-[(E)-2-phenylethenyl]-8-propylchromen-7-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-keto-8-propyl-4-[(E)-styryl]chromen-7-yl]oxymethyl]-3-methoxy-benzoic acid Formula: C29H26O6 MolecularWeight: 470.51314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=O)C=C2C=CC3=CC=CC=C3)OCC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=O)C=C2/C=C/C3=CC=CC=C3)OCC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C29H26O6/c1-3-7-24-25(34-18-22-13-12-21(29(31)32)16-26(22)33-2)15-14-23-20(17-27(30)35-28(23)24)11-10-19-8-5-4-6-9-19/h4-6,8-17H,3,7,18H2,1-2H3,(H,31,32)/b11-10+