1,7-bis(3-methylbut-2-enyl)-6,8,9-tris(oxidanyl)-1-propoxy-xanthene-2,3-dione

Systemtic Name: 1,7-bis(3-methylbut-2-enyl)-6,8,9-tris(oxidanyl)-1-propoxy-xanthene-2,3-dione Openeye Name: 6,8,9-trihydroxy-1,7-bis(3-methylbut-2-enyl)-1-propoxy-xanthene-2,3-dione CAS Name: 6,8,9-trihydroxy-1,7-bis(3-methylbut-2-enyl)-1-propoxyxanthene-2,3-dione IUPAC Name: 6,8,9-trihydroxy-1,7-bis(3-methylbut-2-enyl)-1-propoxyxanthene-2,3-dione Traditional Name: 6,8,9-trihydroxy-1,7-bis(3-methylbut-2-enyl)-1-propoxy-xanthene-2,3-quinone Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2=C(C3=C(C(=C(C=C3OC2=CC(=O)C1=O)O)CC=C(C)C)O)O)CC=C(C)C

Isomeric SMILES

CCCOC1(C2=C(C3=C(C(=C(C=C3OC2=CC(=O)C1=O)O)CC=C(C)C)O)O)CC=C(C)C

InChI

InChI=1S/C26H30O7/c1-6-11-32-26(10-9-15(4)5)22-20(13-18(28)25(26)31)33-19-12-17(27)16(8-7-14(2)3)23(29)21(19)24(22)30/h7,9,12-13,27,29-30H,6,8,10-11H2,1-5H3