butan-1-ol; 4-oxidaniumylidenepentan-2-ylideneoxidanium; titanium

Systemtic Name: butan-1-ol; 4-oxidaniumylidenepentan-2-ylideneoxidanium; titanium Openeye Name: butan-1-ol; (1-methyl-3-oxoniumylidene-butylidene)oxonium; titanium CAS Name: 1-butanol; 4-oxoniumylidenepentan-2-ylideneoxonium; titanium IUPAC Name: butan-1-ol; 4-oxoniumylidenepentan-2-ylideneoxidanium; titanium Traditional Name: butan-1-ol; (1-methyl-3-oxoniumylidene-butylidene)oxonium; titanium Formula: C18H40O6Ti+4 MolecularWeight: 400.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(=[OH+])CC(=[OH+])C.CC(=[OH+])CC(=[OH+])C.[Ti]

Isomeric SMILES

CCCCO.CCCCO.CC(=[OH+])CC(=[OH+])C.CC(=[OH+])CC(=[OH+])C.[Ti]

InChI

InChI=1S/2C5H8O2.2C4H10O.Ti/c2*1-4(6)3-5(2)7;2*1-2-3-4-5;/h2*3H2,1-2H3;2*5H,2-4H2,1H3;/p+4