(2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylsulfanyl)benzo[e]indole-9-sulfonic acid

Systemtic Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylsulfanyl)benzo[e]indole-9-sulfonic acid Openeye Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylsulfanyl)benzo[e]indole-9-sulfonic acid CAS Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)-2-benzo[e]indol-3-iumyl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylthio)-9-benzo[e]indolesulfonic acid IUPAC Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylsulfanyl)benzo[e]indole-9-sulfonic acid Traditional Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinooxy-7-sulfo-3-(sulfomethyl)benz[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(sulfomethyl)-7-(trioxidanylthio)benz[e]indole-9-sulfonic acid Formula: C33H33N2O18S6+ MolecularWeight: 938.00772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=C(C=C(C=C3C=C2)S(=O)(=O)O)OS(=O)O)CS(=O)(=O)O)C=CC=C4C(C5=C(N4CS(=O)(=O)O)C=CC6=CC(=CC(=C65)S(=O)(=O)O)SOOO)(C)C)C

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=C(C=C(C=C3C=C2)S(=O)(=O)O)OS(=O)O)CS(=O)(=O)O)/C=C/C=C\4/C(C5=C(N4CS(=O)(=O)O)C=CC6=CC(=CC(=C65)S(=O)(=O)O)SOOO)(C)C)C

InChI

InChI=1S/C33H32N2O18S6/c1-32(2)26(34(16-56(39,40)41)22-11-9-19-13-21(58(45,46)47)15-24(51-55(37)38)28(19)30(22)32)6-5-7-27-33(3,4)31-23(35(27)17-57(42,43)44)10-8-18-12-20(54-53-52-36)14-25(29(18)31)59(48,49)50/h5-15H,16-17H2,1-4H3,(H5-,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50)/p+1