[(Z)-3-(1-adamantyl)-1-ethoxy-3-oxidanyl-prop-2-enylidene]oxidanium; ethyloxidanium; titanium

Systemtic Name: [(Z)-3-(1-adamantyl)-1-ethoxy-3-oxidanyl-prop-2-enylidene]oxidanium; ethyloxidanium; titanium Openeye Name: [(Z)-3-(1-adamantyl)-1-ethoxy-3-hydroxy-prop-2-enylidene]oxonium; ethyloxonium; titanium CAS Name: [(Z)-3-(1-adamantyl)-1-ethoxy-3-hydroxyprop-2-enylidene]oxonium; ethyloxonium; titanium IUPAC Name: [(Z)-3-(1-adamantyl)-1-ethoxy-3-hydroxyprop-2-enylidene]oxidanium; ethyloxidanium; titanium Traditional Name: [(Z)-3-(1-adamantyl)-1-ethoxy-3-hydroxy-prop-2-enylidene]oxonium; ethyloxonium; titanium Formula: C34H60O8Ti+4 MolecularWeight: 644.7024

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].CCOC(=[OH+])C=C(C12CC3CC(C1)CC(C3)C2)O.CCOC(=[OH+])C=C(C12CC3CC(C1)CC(C3)C2)O.[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].CCOC(=[OH+])/C=C(\O)/C12CC3CC(C1)CC(C2)C3.CCOC(=[OH+])/C=C(\O)/C12CC3CC(C1)CC(C2)C3.[Ti]

InChI

InChI=1S/2C15H22O3.2C2H6O.Ti/c2*1-2-18-14(17)6-13(16)15-7-10-3-11(8-15)5-12(4-10)9-15;2*1-2-3;/h2*6,10-12,16H,2-5,7-9H2,1H3;2*3H,2H2,1H3;/p+4/b2*13-6-;;;