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

Systemtic Name: 2-[(Z,3Z)-2-chloranyl-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-2-ylidene)prop-1-enyl]-1-heptyl-3,3-dimethyl-5-methylsulfanylperoxy-indol-1-ium Openeye Name: 2-[(Z,3Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indolin-2-ylidene)prop-1-enyl]-1-heptyl-3,3-dimethyl-5-methylsulfanylperoxy-indol-1-ium CAS Name: methanesulfenic acid [2-[(Z,3Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-2-indolylidene)prop-1-enyl]-1-heptyl-3,3-dimethyl-5-indol-1-iumyl]oxy ester IUPAC Name: 2-[(Z,3Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonylindol-2-ylidene)prop-1-enyl]-1-heptyl-3,3-dimethyl-5-methylsulfanylperoxyindol-1-ium Traditional Name: 2-[(Z,3Z)-2-chloro-3-(1-heptyl-5-mesyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-1-heptyl-3,3-dimethyl-5-(methylthio)peroxy-indol-1-ium Formula: C39H56ClN2O4S2+ MolecularWeight: 716.45594

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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)Cl)(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)/Cl)(C)C

InChI

InChI=1S/C39H56ClN2O4S2/c1-9-11-13-15-17-23-41-34-21-19-30(45-46-47-7)27-32(34)38(3,4)36(41)25-29(40)26-37-39(5,6)33-28-31(48(8,43)44)20-22-35(33)42(37)24-18-16-14-12-10-2/h19-22,25-28H,9-18,23-24H2,1-8H3/q+1