4-(4-aminophenyl)butane-2-thiol; diethyl 2-methylidenepropanedioate; octane

Systemtic Name: 4-(4-aminophenyl)butane-2-thiol; diethyl 2-methylidenepropanedioate; octane Openeye Name: 4-(4-aminophenyl)butane-2-thiol; diethyl 2-methylenepropanedioate; octane CAS Name: 4-(4-aminophenyl)-2-butanethiol; 2-methylenepropanedioic acid diethyl ester; octane IUPAC Name: 4-(4-aminophenyl)butane-2-thiol; diethyl 2-methylidenepropanedioate; octane Traditional Name: 4-(4-aminophenyl)butane-2-thiol; 2-methylenemalonic acid diethyl ester; n-octane Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCOC(=O)C(=C)C(=O)OCC.CC(CCC1=CC=C(C=C1)N)S

Isomeric SMILES

CCCCCCCC.CCOC(=O)C(=C)C(=O)OCC.CC(CCC1=CC=C(C=C1)N)S

InChI

InChI=1S/C10H15NS.C8H12O4.C8H18/c1-8(12)2-3-9-4-6-10(11)7-5-9;1-4-11-7(9)6(3)8(10)12-5-2;1-3-5-7-8-6-4-2/h4-8,12H,2-3,11H2,1H3;3-5H2,1-2H3;3-8H2,1-2H3