2-[(1Z,3E)-1-azanyl-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-2H-indole-1,5-disulfonate; cyclopropane

Systemtic Name: 2-[(1Z,3E)-1-azanyl-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-2H-indole-1,5-disulfonate; cyclopropane Openeye Name: 2-[(1Z,3E)-1-amino-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxo-butyl)-3-methyl-indoline-1,5-disulfonate; cyclopropane CAS Name: 2-[(1Z,3E)-1-amino-4-phenylbuta-1,3-dienyl]-3-(4-ethoxy-4-oxobutyl)-3-methyl-2H-indole-1,5-disulfonate; cyclopropane IUPAC Name: 2-[(1Z,3E)-1-amino-4-phenylbuta-1,3-dienyl]-3-(4-ethoxy-4-oxobutyl)-3-methyl-2H-indole-1,5-disulfonate; cyclopropane Traditional Name: 2-[(1Z,3E)-1-amino-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-keto-butyl)-3-methyl-indoline-1,5-disulfonate; cyclopropane Formula: C28H34N2O8S2-2 MolecularWeight: 590.70816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=CC=CC3=CC=CC=C3)N)C.C1CC1

Isomeric SMILES

CCOC(=O)CCCC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C/C=C/C3=CC=CC=C3)/N)C.C1CC1

InChI

InChI=1S/C25H30N2O8S2.C3H6/c1-3-35-23(28)13-8-16-25(2)20-17-19(36(29,30)31)14-15-22(20)27(37(32,33)34)24(25)21(26)12-7-11-18-9-5-4-6-10-18;1-2-3-1/h4-7,9-12,14-15,17,24H,3,8,13,16,26H2,1-2H3,(H,29,30,31)(H,32,33,34);1-3H2/p-2/b11-7+,21-12-;