1-heptyl-2-[(E,3Z)-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-methylsulfanylperoxy-indol-1-ium

Systemtic Name: 1-heptyl-2-[(E,3Z)-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-methylsulfanylperoxy-indol-1-ium Openeye Name: 1-heptyl-2-[(E,3Z)-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-methylsulfanylperoxy-indol-1-ium CAS Name: methanesulfenic acid [1-heptyl-2-[(E,3Z)-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-2-indolylidene)prop-1-enyl]-3,3-dimethyl-5-indol-1-iumyl]oxy ester IUPAC Name: 1-heptyl-2-[(E,3Z)-3-(1-heptyl-3,3-dimethyl-5-methylsulfonylindol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-methylsulfanylperoxyindol-1-ium Traditional Name: 1-heptyl-2-[(E,3Z)-3-(1-heptyl-5-mesyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-(methylthio)peroxy-indol-1-ium Formula: C39H57N2O4S2+ MolecularWeight: 682.01088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)C)C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)OOSC)CCCCCCC)(C)C

Isomeric SMILES

CCCCCCCN\1C2=C(C=C(C=C2)S(=O)(=O)C)C(/C1=C/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)OOSC)CCCCCCC)(C)C

InChI

InChI=1S/C39H57N2O4S2/c1-9-11-13-15-17-26-40-34-24-22-30(44-45-46-7)28-32(34)38(3,4)36(40)20-19-21-37-39(5,6)33-29-31(47(8,42)43)23-25-35(33)41(37)27-18-16-14-12-10-2/h19-25,28-29H,9-18,26-27H2,1-8H3/q+1