[4-[(6E)-2-[(E)-2-(3-butyl-1,1-dimethyl-cyclopenta[a]naphthalen-2-yl)ethenyl]-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-cyclopenta[a]naphthalen-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl] thiocyanate

Systemtic Name: [4-[(6E)-2-[(E)-2-(3-butyl-1,1-dimethyl-cyclopenta[a]naphthalen-2-yl)ethenyl]-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-cyclopenta[a]naphthalen-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl] thiocyanate Openeye Name: [4-[(6E)-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-cyclopenta[a]naphthalen-2-ylidene)ethylidene]-2-[(E)-2-(3-butyl-1,1-dimethyl-cyclopenta[a]naphthalen-2-yl)vinyl]cyclohexen-1-yl]oxyphenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(6E)-2-[(E)-2-(3-butyl-1,1-dimethyl-2-cyclopenta[a]naphthalenyl)ethenyl]-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-cyclopenta[a]naphthalen-2-ylidene)ethylidene]-1-cyclohexenyl]oxy]phenyl] ester IUPAC Name: [4-[(6E)-2-[(E)-2-(3-butyl-1,1-dimethylcyclopenta[a]naphthalen-2-yl)ethenyl]-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-cyclopenta[a]naphthalen-2-ylidene)ethylidene]cyclohexen-1-yl]oxyphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(6E)-6-[(2E)-2-(3-butyl-1,1-dimethyl-3H-benz[e]inden-2-ylidene)ethylidene]-2-[(E)-2-(3-butyl-1,1-dimethyl-benz[e]inden-2-yl)vinyl]cyclohexen-1-yl]oxyphenyl] ester Formula: C55H57NOS MolecularWeight: 780.11218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=C4CCCC(=C4OC5=CC=C(C=C5)SC#N)C=CC6=C(C7=C(C6(C)C)C8=CC=CC=C8C=C7)CCCC)(C)C

Isomeric SMILES

CCCCC\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C/C=C/4\CCCC(=C4OC5=CC=C(C=C5)SC#N)/C=C/C6=C(C7=C(C6(C)C)C8=CC=CC=C8C=C7)CCCC)(C)C

InChI

InChI=1S/C55H57NOS/c1-7-9-20-45-47-32-24-37-16-11-13-22-43(37)51(47)54(3,4)49(45)34-26-39-18-15-19-40(53(39)57-41-28-30-42(31-29-41)58-36-56)27-35-50-46(21-10-8-2)48-33-25-38-17-12-14-23-44(38)52(48)55(50,5)6/h11-14,16-17,22-35,45H,7-10,15,18-21H2,1-6H3/b35-27+,39-26+,49-34+