4-[2-[[3-(1-adamantyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[2-[[3-(1-adamantyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]benzenesulfonate Openeye Name: 4-[2-[[3-(1-adamantyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazino]benzenesulfonate CAS Name: 4-[[3-(1-adamantyl)-6-oxo-1-cyclohexa-2,4-dienylidene]methylhydrazo]benzenesulfonate IUPAC Name: 4-[2-[[3-(1-adamantyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]benzenesulfonate Traditional Name: 4-[N'-[[3-(1-adamantyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazino]besylate Formula: C23H25N2O4S- MolecularWeight: 425.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=CNNC5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=CNNC5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)C=C4

InChI

InChI=1S/C23H26N2O4S/c26-22-6-1-19(23-11-15-7-16(12-23)9-17(8-15)13-23)10-18(22)14-24-25-20-2-4-21(5-3-20)30(27,28)29/h1-6,10,14-17,24-25H,7-9,11-13H2,(H,27,28,29)/p-1