9-octoxy-4-oxidanylidene-13-propyl-6,11-dihydrochromeno[7,6-c][2]benzoxepine-2-carboxylic acid

Systemtic Name: 9-octoxy-4-oxidanylidene-13-propyl-6,11-dihydrochromeno[7,6-c][2]benzoxepine-2-carboxylic acid Openeye Name: 9-octoxy-4-oxo-13-propyl-6,11-dihydrochromeno[7,6-c][2]benzoxepine-2-carboxylic acid CAS Name: 9-octoxy-4-oxo-13-propyl-6,11-dihydro[1]benzopyrano[7,6-c][2]benzoxepin-2-carboxylic acid IUPAC Name: 9-octoxy-4-oxo-13-propyl-6,11-dihydrochromeno[7,6-c][2]benzoxepine-2-carboxylic acid Traditional Name: 4-keto-9-octoxy-13-propyl-6,11-dihydrochromeno[7,6-c][2]benzoxepin-2-carboxylic acid Formula: C29H34O6 MolecularWeight: 478.57666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(CC3=C(C(=C4C(=C3)C(=O)C=C(O4)C(=O)O)CCC)OC2)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC2=C(CC3=C(C(=C4C(=C3)C(=O)C=C(O4)C(=O)O)CCC)OC2)C=C1

InChI

InChI=1S/C29H34O6/c1-3-5-6-7-8-9-13-33-22-12-11-19-14-20-16-24-25(30)17-26(29(31)32)35-28(24)23(10-4-2)27(20)34-18-21(19)15-22/h11-12,15-17H,3-10,13-14,18H2,1-2H3,(H,31,32)