2,4-bis[4,6,7-tris(bromanyl)-2,8-dimethyl-5-propan-2-yl-azulen-1-yl]cyclobutane-1,3-dione

Systemtic Name: 2,4-bis[4,6,7-tris(bromanyl)-2,8-dimethyl-5-propan-2-yl-azulen-1-yl]cyclobutane-1,3-dione Openeye Name: 2,4-bis(4,6,7-tribromo-5-isopropyl-2,8-dimethyl-azulen-1-yl)cyclobutane-1,3-dione CAS Name: 2,4-bis(4,6,7-tribromo-2,8-dimethyl-5-propan-2-yl-1-azulenyl)cyclobutane-1,3-dione IUPAC Name: 2,4-bis(4,6,7-tribromo-2,8-dimethyl-5-propan-2-ylazulen-1-yl)cyclobutane-1,3-dione Traditional Name: 2,4-bis(4,6,7-tribromo-5-isopropyl-2,8-dimethyl-azulen-1-yl)cyclobutane-1,3-quinone Formula: C34H29Br6O2+ MolecularWeight: 949.01686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(C(=C(C2=C1)Br)C(C)C)Br)Br)C)C3C(=O)[C+](C3=O)C4=C(C=C5C4=C(C(=C(C(=C5Br)C(C)C)Br)Br)C)C

Isomeric SMILES

CC1=C(C2=C(C(=C(C(=C(C2=C1)Br)C(C)C)Br)Br)C)C3C(=O)[C+](C3=O)C4=C(C=C5C4=C(C(=C(C(=C5Br)C(C)C)Br)Br)C)C

InChI

InChI=1S/C34H29Br6O2/c1-11(2)19-29(37)17-9-13(5)21(23(17)15(7)27(35)31(19)39)25-33(41)26(34(25)42)22-14(6)10-18-24(22)16(8)28(36)32(40)20(12(3)4)30(18)38/h9-12,25H,1-8H3/q+1