sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-oxidanylidene-but-2-enoate Openeye Name: sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-oxo-but-2-enoate CAS Name: sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-oxo-2-butenoate IUPAC Name: sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-oxobut-2-enoate Traditional Name: sodium (Z)-3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-(7-methoxy-1,3-benzodioxol-5-yl)but-2-enoate Formula: C27H27NaO8 MolecularWeight: 502.48825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C(=C(CC3CCCCC3)C(=O)C4=CC5=C(C=C4)OCCO5)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C(=C(\CC3CCCCC3)/C(=O)C4=CC5=C(C=C4)OCCO5)/C(=O)[O-].[Na+]

InChI

InChI=1S/C27H28O8.Na/c1-31-22-13-18(14-23-26(22)35-15-34-23)24(27(29)30)19(11-16-5-3-2-4-6-16)25(28)17-7-8-20-21(12-17)33-10-9-32-20;/h7-8,12-14,16H,2-6,9-11,15H2,1H3,(H,29,30);/q;+1/p-1/b24-19-;