sodium (Z)-[1,3-bis(oxidanylidene)-5-(pentadecan-7-ylperoxymethyl)inden-2-ylidene]methanethiolate

Systemtic Name: sodium (Z)-[1,3-bis(oxidanylidene)-5-(pentadecan-7-ylperoxymethyl)inden-2-ylidene]methanethiolate Openeye Name: sodium (Z)-[5-(1-hexylnonylperoxymethyl)-1,3-dioxo-indan-2-ylidene]methanethiolate CAS Name: sodium (Z)-[1,3-dioxo-5-(pentadecan-7-yldioxymethyl)-2-indenylidene]methanethiolate IUPAC Name: sodium (Z)-[1,3-dioxo-5-(pentadecan-7-ylperoxymethyl)inden-2-ylidene]methanethiolate Traditional Name: sodium (Z)-[5-(1-hexylnonylperoxymethyl)-1,3-diketo-indan-2-ylidene]methanethiolate Formula: C26H37NaO4S MolecularWeight: 468.62435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)OOCC1=CC2=C(C=C1)C(=O)C(=C[S-])C2=O.[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCC)OOCC1=CC2=C(C=C1)C(=O)/C(=C/[S-])/C2=O.[Na+]

InChI

InChI=1S/C26H38O4S.Na/c1-3-5-7-9-10-12-14-21(13-11-8-6-4-2)30-29-18-20-15-16-22-23(17-20)26(28)24(19-31)25(22)27;/h15-17,19,21,31H,3-14,18H2,1-2H3;/q;+1/p-1/b24-19-;