4-[(7-tert-butylxanthen-10-ium-1-yl)methylidene]-2-[(7-tert-butylxanthen-1-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-[(7-tert-butylxanthen-10-ium-1-yl)methylidene]-2-[(7-tert-butylxanthen-1-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-[(7-tert-butylxanthen-10-ium-1-yl)methylene]-2-[(7-tert-butylxanthen-1-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one CAS Name: 4-[(7-tert-butyl-1-xanthen-10-iumyl)methylidene]-2-[(7-tert-butyl-1-xanthenylidene)methyl]-3-hydroxy-1-cyclobut-2-enone IUPAC Name: 4-[(7-tert-butylxanthen-10-ium-1-yl)methylidene]-2-[(7-tert-butylxanthen-1-ylidene)methyl]-3-hydroxycyclobut-2-en-1-one Traditional Name: 4-[(7-tert-butylxanthen-10-ium-1-yl)methylene]-2-[(7-tert-butylxanthen-1-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one Formula: C40H35O4+ MolecularWeight: 579.7035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC3=C(C=CC=C3[O+]=C2C=C1)C=C4C(=C(C4=O)C=C5C=CC=C6C5=CC7=C(O6)C=CC(=C7)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC2=CC3=C(C=CC=C3[O+]=C2C=C1)C=C4C(=C(C4=O)C=C5C=CC=C6C5=CC7=C(O6)C=CC(=C7)C(C)(C)C)O

InChI

InChI=1S/C40H34O4/c1-39(2,3)27-13-15-33-25(17-27)21-29-23(9-7-11-35(29)43-33)19-31-37(41)32(38(31)42)20-24-10-8-12-36-30(24)22-26-18-28(40(4,5)6)14-16-34(26)44-36/h7-22H,1-6H3/p+1