4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]-2-oxidanylidene-cyclohexylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]-2-oxidanylidene-cyclohexylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]-2-oxo-cyclohexylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)-2-benzo[e]indolylidene]ethylidene]-2-oxocyclohexylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]-2-oxocyclohexylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benz[e]indol-2-ylidene]ethylidene]-2-keto-cyclohexylidene]ethylidene]-1,1-dimethyl-benz[e]indol-3-yl]butane-1-sulfonic acid Formula: C46H52N2O7S2 MolecularWeight: 809.04428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC=C2CCCC(=CC=C3C(C4=C(N3CCCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)C2=O)N(C6=C1C7=CC=CC=C7C=C6)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC\1(C2=C(N(/C1=C/C=C\3/C(=O)/C(=C/C=C\4/N(C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCCCS(=O)(=O)O)/CCC3)CCCCS(=O)(=O)O)C=CC7=CC=CC=C27)C

InChI

InChI=1S/C46H52N2O7S2/c1-45(2)40(47(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)49)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)48(41)29-10-12-31-57(53,54)55/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H,50,51,52)(H,53,54,55)/b34-22+,35-23+,40-26+,41-27+